bis(N-(2-aminoethyl)acetamide);tert-butyl 4-[[4-(2-acetamidoethylamino)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl]methoxy]piperidine-1-carboxylate;tert-butyl 4-chloro-6-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxymethyl]-2-phenylpyrrolo[2,3-d]pyrimidine-7-carboxylate;tert-butyl 4-hydroxypiperidine-1-carboxylate;4-chloro-6-(cyclohexyloxymethyl)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidine;4-chloro-2-phenyl-6-(piperidin-4-yloxymethyl)-7H-pyrrolo[2,3-d]pyrimidine;N-[2-[[6-(cyclohexyloxymethyl)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide;N-[2-[[2-phenyl-6-(piperidin-4-yloxymethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide

C155H206Cl3N33O20 — CID 157154717

About bis(N-(2-aminoethyl)acetamide);tert-butyl 4-[[4-(2-acetamidoethylamino)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl]methoxy]piperidine-1-carboxylate;tert-butyl 4-chloro-6-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxymethyl]-2-phenylpyrrolo[2,3-d]pyrimidine-7-carboxylate;tert-butyl 4-hydroxypiperidine-1-carboxylate;4-chloro-6-(cyclohexyloxymethyl)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidine;4-chloro-2-phenyl-6-(piperidin-4-yloxymethyl)-7H-pyrrolo[2,3-d]pyrimidine;N-[2-[[6-(cyclohexyloxymethyl)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide;N-[2-[[2-phenyl-6-(piperidin-4-yloxymethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide

bis(N-(2-aminoethyl)acetamide);tert-butyl 4-[[4-(2-acetamidoethylamino)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl]methoxy]piperidine-1-carboxylate;tert-butyl 4-chloro-6-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxymethyl]-2-phenylpyrrolo[2,3-d]pyrimidine-7-carboxylate;tert-butyl 4-hydroxypiperidine-1-carboxylate;4-chloro-6-(cyclohexyloxymethyl)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidine;4-chloro-2-phenyl-6-(piperidin-4-yloxymethyl)-7H-pyrrolo[2,3-d]pyrimidine;N-[2-[[6-(cyclohexyloxymethyl)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide;N-[2-[[2-phenyl-6-(piperidin-4-yloxymethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide (PubChem CID 157154717) has the molecular formula C155H206Cl3N33O20 and a molecular weight of 2957.92 g/mol. Its IUPAC name is bis(N-(2-aminoethyl)acetamide);tert-butyl 4-[[4-(2-acetamidoethylamino)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl]methoxy]piperidine-1-carboxylate;tert-butyl 4-chloro-6-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxymethyl]-2-phenylpyrrolo[2,3-d]pyrimidine-7-carboxylate;tert-butyl 4-hydroxypiperidine-1-carboxylate;4-chloro-6-(cyclohexyloxymethyl)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidine;4-chloro-2-phenyl-6-(piperidin-4-yloxymethyl)-7H-pyrrolo[2,3-d]pyrimidine;N-[2-[[6-(cyclohexyloxymethyl)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide;N-[2-[[2-phenyl-6-(piperidin-4-yloxymethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide.

Molecular Properties

• Compound Name: bis(N-(2-aminoethyl)acetamide);tert-butyl 4-[[4-(2-acetamidoethylamino)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl]methoxy]piperidine-1-carboxylate;tert-butyl 4-chloro-6-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxymethyl]-2-phenylpyrrolo[2,3-d]pyrimidine-7-carboxylate;tert-butyl 4-hydroxypiperidine-1-carboxylate;4-chloro-6-(cyclohexyloxymethyl)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidine;4-chloro-2-phenyl-6-(piperidin-4-yloxymethyl)-7H-pyrrolo[2,3-d]pyrimidine;N-[2-[[6-(cyclohexyloxymethyl)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide;N-[2-[[2-phenyl-6-(piperidin-4-yloxymethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide
• PubChem CID: 157154717
• Molecular Formula: C155H206Cl3N33O20
• Molecular Weight: 2957.92 g/mol
• Exact Mass: 2954.52
• IUPAC Name: bis(N-(2-aminoethyl)acetamide);tert-butyl 4-[[4-(2-acetamidoethylamino)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl]methoxy]piperidine-1-carboxylate;tert-butyl 4-chloro-6-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxymethyl]-2-phenylpyrrolo[2,3-d]pyrimidine-7-carboxylate;tert-butyl 4-hydroxypiperidine-1-carboxylate;4-chloro-6-(cyclohexyloxymethyl)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidine;4-chloro-2-phenyl-6-(piperidin-4-yloxymethyl)-7H-pyrrolo[2,3-d]pyrimidine;N-[2-[[6-(cyclohexyloxymethyl)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide;N-[2-[[2-phenyl-6-(piperidin-4-yloxymethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide
• SMILES: CC(=O)NCCN.CC(=O)NCCN.CC(=O)NCCNc1nc(-c2ccccc2)nc2[nH]c(COC3CCCCC3)cc12.CC(=O)NCCNc1nc(-c2ccccc2)nc2[nH]c(COC3CCN(C(=O)OC(C)(C)C)CC3)cc12.CC(=O)NCCNc1nc(-c2ccccc2)nc2[nH]c(COC3CCNCC3)cc12.CC(C)(C)OC(=O)N1CCC(O)CC1.CC(C)(C)OC(=O)N1CCC(OCc2cc3c(Cl)nc(-c4ccccc4)nc3n2C(=O)OC(C)(C)C)CC1.Clc1nc(-c2ccccc2)nc2[nH]c(COC3CCCCC3)cc12.Clc1nc(-c2ccccc2)nc2[nH]c(COC3CCNCC3)cc12
• InChI: InChI=1S/C28H35ClN4O5.C27H36N6O4.C23H29N5O2.C22H28N6O2.C19H20ClN3O.C18H19ClN4O.C10H19NO3.2C4H10N2O/c1-27(2,3)37-25(34)32-14-12-20(13-15-32)36-17-19-16-21-22(29)30-23(18-10-8-7-9-11-18)31-24(21)33(19)26(35)38-28(4,5)6;1-18(34)28-12-13-29-24-22-16-20(30-25(22)32-23(31-24)19-8-6-5-7-9-19)17-36-21-10-14-33(15-11-21)26(35)37-27(2,3)4;1-16(29)24-12-13-25-22-20-14-18(15-30-19-10-6-3-7-11-19)26-23(20)28-21(27-22)17-8-4-2-5-9-17;1-15(29)24-11-12-25-21-19-13-17(14-30-18-7-9-23-10-8-18)26-22(19)28-20(27-21)16-5-3-2-4-6-16;20-17-16-11-14(12-24-15-9-5-2-6-10-15)21-19(16)23-18(22-17)13-7-3-1-4-8-13;19-16-15-10-13(11-24-14-6-8-20-9-7-14)21-18(15)23-17(22-16)12-4-2-1-3-5-12;1-10(2,3)14-9(13)11-6-4-8(12)5-7-11;2*1-4(7)6-3-2-5/h7-11,16,20H,12-15,17H2,1-6H3;5-9,16,21H,10-15,17H2,1-4H3,(H,28,34)(H2,29,30,31,32);2,4-5,8-9,14,19H,3,6-7,10-13,15H2,1H3,(H,24,29)(H2,25,26,27,28);2-6,13,18,23H,7-12,14H2,1H3,(H,24,29)(H2,25,26,27,28);1,3-4,7-8,11,15H,2,5-6,9-10,12H2,(H,21,22,23);1-5,10,14,20H,6-9,11H2,(H,21,22,23);8,12H,4-7H2,1-3H3;2*2-3,5H2,1H3,(H,6,7)
• InChIKey: ALRDIZJNONEGFQ-UHFFFAOYSA-N
• XLogP: 25.22
• TPSA: 686.78 Ų
• H-Bond Donors: 18
• H-Bond Acceptors: 40
• Rotatable Bonds: 40
• Heavy Atoms: 211
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2957.92
LogP ≤ 5	25.22
H-Bond Donors ≤ 5	18
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(N-(2-aminoethyl)acetamide);tert-butyl 4-[[4-(2-acetamidoethylamino)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl]methoxy]piperidine-1-carboxylate;tert-butyl 4-chloro-6-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxymethyl]-2-phenylpyrrolo[2,3-d]pyrimidine-7-carboxylate;tert-butyl 4-hydroxypiperidine-1-carboxylate;4-chloro-6-(cyclohexyloxymethyl)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidine;4-chloro-2-phenyl-6-(piperidin-4-yloxymethyl)-7H-pyrrolo[2,3-d]pyrimidine;N-[2-[[6-(cyclohexyloxymethyl)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide;N-[2-[[2-phenyl-6-(piperidin-4-yloxymethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide?

The IUPAC name of bis(N-(2-aminoethyl)acetamide);tert-butyl 4-[[4-(2-acetamidoethylamino)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl]methoxy]piperidine-1-carboxylate;tert-butyl 4-chloro-6-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxymethyl]-2-phenylpyrrolo[2,3-d]pyrimidine-7-carboxylate;tert-butyl 4-hydroxypiperidine-1-carboxylate;4-chloro-6-(cyclohexyloxymethyl)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidine;4-chloro-2-phenyl-6-(piperidin-4-yloxymethyl)-7H-pyrrolo[2,3-d]pyrimidine;N-[2-[[6-(cyclohexyloxymethyl)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide;N-[2-[[2-phenyl-6-(piperidin-4-yloxymethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide (CID 157154717) is bis(N-(2-aminoethyl)acetamide);tert-butyl 4-[[4-(2-acetamidoethylamino)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl]methoxy]piperidine-1-carboxylate;tert-butyl 4-chloro-6-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxymethyl]-2-phenylpyrrolo[2,3-d]pyrimidine-7-carboxylate;tert-butyl 4-hydroxypiperidine-1-carboxylate;4-chloro-6-(cyclohexyloxymethyl)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidine;4-chloro-2-phenyl-6-(piperidin-4-yloxymethyl)-7H-pyrrolo[2,3-d]pyrimidine;N-[2-[[6-(cyclohexyloxymethyl)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide;N-[2-[[2-phenyl-6-(piperidin-4-yloxymethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide.

What is the SMILES notation for bis(N-(2-aminoethyl)acetamide);tert-butyl 4-[[4-(2-acetamidoethylamino)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl]methoxy]piperidine-1-carboxylate;tert-butyl 4-chloro-6-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxymethyl]-2-phenylpyrrolo[2,3-d]pyrimidine-7-carboxylate;tert-butyl 4-hydroxypiperidine-1-carboxylate;4-chloro-6-(cyclohexyloxymethyl)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidine;4-chloro-2-phenyl-6-(piperidin-4-yloxymethyl)-7H-pyrrolo[2,3-d]pyrimidine;N-[2-[[6-(cyclohexyloxymethyl)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide;N-[2-[[2-phenyl-6-(piperidin-4-yloxymethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide?

The canonical SMILES for bis(N-(2-aminoethyl)acetamide);tert-butyl 4-[[4-(2-acetamidoethylamino)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl]methoxy]piperidine-1-carboxylate;tert-butyl 4-chloro-6-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxymethyl]-2-phenylpyrrolo[2,3-d]pyrimidine-7-carboxylate;tert-butyl 4-hydroxypiperidine-1-carboxylate;4-chloro-6-(cyclohexyloxymethyl)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidine;4-chloro-2-phenyl-6-(piperidin-4-yloxymethyl)-7H-pyrrolo[2,3-d]pyrimidine;N-[2-[[6-(cyclohexyloxymethyl)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide;N-[2-[[2-phenyl-6-(piperidin-4-yloxymethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide is CC(=O)NCCN.CC(=O)NCCN.CC(=O)NCCNc1nc(-c2ccccc2)nc2[nH]c(COC3CCCCC3)cc12.CC(=O)NCCNc1nc(-c2ccccc2)nc2[nH]c(COC3CCN(C(=O)OC(C)(C)C)CC3)cc12.CC(=O)NCCNc1nc(-c2ccccc2)nc2[nH]c(COC3CCNCC3)cc12.CC(C)(C)OC(=O)N1CCC(O)CC1.CC(C)(C)OC(=O)N1CCC(OCc2cc3c(Cl)nc(-c4ccccc4)nc3n2C(=O)OC(C)(C)C)CC1.Clc1nc(-c2ccccc2)nc2[nH]c(COC3CCCCC3)cc12.Clc1nc(-c2ccccc2)nc2[nH]c(COC3CCNCC3)cc12.

What is the InChIKey of bis(N-(2-aminoethyl)acetamide);tert-butyl 4-[[4-(2-acetamidoethylamino)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl]methoxy]piperidine-1-carboxylate;tert-butyl 4-chloro-6-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxymethyl]-2-phenylpyrrolo[2,3-d]pyrimidine-7-carboxylate;tert-butyl 4-hydroxypiperidine-1-carboxylate;4-chloro-6-(cyclohexyloxymethyl)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidine;4-chloro-2-phenyl-6-(piperidin-4-yloxymethyl)-7H-pyrrolo[2,3-d]pyrimidine;N-[2-[[6-(cyclohexyloxymethyl)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide;N-[2-[[2-phenyl-6-(piperidin-4-yloxymethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide?

The InChIKey is ALRDIZJNONEGFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35ClN4O5.C27H36N6O4.C23H29N5O2.C22H28N6O2.C19H20ClN3O.C18H19ClN4O.C10H19NO3.2C4H10N2O/c1-27(2,3)37-25(34)32-14-12-20(13-15-32)36-17-19-16-21-22(29)30-23(18-10-8-7-9-11-18)31-24(21)33(19)26(35)38-28(4,5)6;1-18(34)28-12-13-29-24-22-16-20(30-25(22)32-23(31-24)19-8-6-5-7-9-19)17-36-21-10-14-33(15-11-21)26(35)37-27(2,3)4;1-16(29)24-12-13-25-22-20-14-18(15-30-19-10-6-3-7-11-19)26-23(20)28-21(27-22)17-8-4-2-5-9-17;1-15(29)24-11-12-25-21-19-13-17(14-30-18-7-9-23-10-8-18)26-22(19)28-20(27-21)16-5-3-2-4-6-16;20-17-16-11-14(12-24-15-9-5-2-6-10-15)21-19(16)23-18(22-17)13-7-3-1-4-8-13;19-16-15-10-13(11-24-14-6-8-20-9-7-14)21-18(15)23-17(22-16)12-4-2-1-3-5-12;1-10(2,3)14-9(13)11-6-4-8(12)5-7-11;2*1-4(7)6-3-2-5/h7-11,16,20H,12-15,17H2,1-6H3;5-9,16,21H,10-15,17H2,1-4H3,(H,28,34)(H2,29,30,31,32);2,4-5,8-9,14,19H,3,6-7,10-13,15H2,1H3,(H,24,29)(H2,25,26,27,28);2-6,13,18,23H,7-12,14H2,1H3,(H,24,29)(H2,25,26,27,28);1,3-4,7-8,11,15H,2,5-6,9-10,12H2,(H,21,22,23);1-5,10,14,20H,6-9,11H2,(H,21,22,23);8,12H,4-7H2,1-3H3;2*2-3,5H2,1H3,(H,6,7).

What are the key properties of bis(N-(2-aminoethyl)acetamide);tert-butyl 4-[[4-(2-acetamidoethylamino)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl]methoxy]piperidine-1-carboxylate;tert-butyl 4-chloro-6-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxymethyl]-2-phenylpyrrolo[2,3-d]pyrimidine-7-carboxylate;tert-butyl 4-hydroxypiperidine-1-carboxylate;4-chloro-6-(cyclohexyloxymethyl)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidine;4-chloro-2-phenyl-6-(piperidin-4-yloxymethyl)-7H-pyrrolo[2,3-d]pyrimidine;N-[2-[[6-(cyclohexyloxymethyl)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide;N-[2-[[2-phenyl-6-(piperidin-4-yloxymethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide?

bis(N-(2-aminoethyl)acetamide);tert-butyl 4-[[4-(2-acetamidoethylamino)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl]methoxy]piperidine-1-carboxylate;tert-butyl 4-chloro-6-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxymethyl]-2-phenylpyrrolo[2,3-d]pyrimidine-7-carboxylate;tert-butyl 4-hydroxypiperidine-1-carboxylate;4-chloro-6-(cyclohexyloxymethyl)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidine;4-chloro-2-phenyl-6-(piperidin-4-yloxymethyl)-7H-pyrrolo[2,3-d]pyrimidine;N-[2-[[6-(cyclohexyloxymethyl)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide;N-[2-[[2-phenyl-6-(piperidin-4-yloxymethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide has a molecular weight of 2957.92 g/mol, XLogP of 25.22, 40 rotatable bonds, 18 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for bis(N-(2-aminoethyl)acetamide);tert-butyl 4-[[4-(2-acetamidoethylamino)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl]methoxy]piperidine-1-carboxylate;tert-butyl 4-chloro-6-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxymethyl]-2-phenylpyrrolo[2,3-d]pyrimidine-7-carboxylate;tert-butyl 4-hydroxypiperidine-1-carboxylate;4-chloro-6-(cyclohexyloxymethyl)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidine;4-chloro-2-phenyl-6-(piperidin-4-yloxymethyl)-7H-pyrrolo[2,3-d]pyrimidine;N-[2-[[6-(cyclohexyloxymethyl)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide;N-[2-[[2-phenyl-6-(piperidin-4-yloxymethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide is sourced from PubChem (CID 157154717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).