N-(2-aminoethyl)-2,2-dimethylpropanamide;tert-butyl 2,2-dimethyl-4-[3-[(6-sulfamoyl-2-pyridinyl)amino]butyl]pyrrolidine-1-carboxylate;8-chloro-12,12,17-trimethyl-2,2-dioxo-2λ6-thia-3,9,11,18,23-pentazatetracyclo[17.3.1.111,14.05,10]tetracosa-1(22),5(10),6,8,19(23),20-hexaen-4-one;2,6-dichloro-N-[[6-[4-(3,3-dimethylcyclopentyl)butan-2-ylamino]-2-pyridinyl]sulfonyl]pyridine-3-carboxamide;2,6-dichloropyridine-3-carboxylic acid;3,3-dimethylbutanal;N-[2-(3,3-dimethylbutylamino)ethyl]-2,2-dimethylpropanamide;bis(1-(3,3-dimethylbutyl)imidazolidin-2-one)

C113H183Cl5N22O17S3 — CID 157367815

About N-(2-aminoethyl)-2,2-dimethylpropanamide;tert-butyl 2,2-dimethyl-4-[3-[(6-sulfamoyl-2-pyridinyl)amino]butyl]pyrrolidine-1-carboxylate;8-chloro-12,12,17-trimethyl-2,2-dioxo-2λ6-thia-3,9,11,18,23-pentazatetracyclo[17.3.1.111,14.05,10]tetracosa-1(22),5(10),6,8,19(23),20-hexaen-4-one;2,6-dichloro-N-[[6-[4-(3,3-dimethylcyclopentyl)butan-2-ylamino]-2-pyridinyl]sulfonyl]pyridine-3-carboxamide;2,6-dichloropyridine-3-carboxylic acid;3,3-dimethylbutanal;N-[2-(3,3-dimethylbutylamino)ethyl]-2,2-dimethylpropanamide;bis(1-(3,3-dimethylbutyl)imidazolidin-2-one)

N-(2-aminoethyl)-2,2-dimethylpropanamide;tert-butyl 2,2-dimethyl-4-[3-[(6-sulfamoyl-2-pyridinyl)amino]butyl]pyrrolidine-1-carboxylate;8-chloro-12,12,17-trimethyl-2,2-dioxo-2λ6-thia-3,9,11,18,23-pentazatetracyclo[17.3.1.111,14.05,10]tetracosa-1(22),5(10),6,8,19(23),20-hexaen-4-one;2,6-dichloro-N-[[6-[4-(3,3-dimethylcyclopentyl)butan-2-ylamino]-2-pyridinyl]sulfonyl]pyridine-3-carboxamide;2,6-dichloropyridine-3-carboxylic acid;3,3-dimethylbutanal;N-[2-(3,3-dimethylbutylamino)ethyl]-2,2-dimethylpropanamide;bis(1-(3,3-dimethylbutyl)imidazolidin-2-one) (PubChem CID 157367815) has the molecular formula C113H183Cl5N22O17S3 and a molecular weight of 2395.31 g/mol. Its IUPAC name is N-(2-aminoethyl)-2,2-dimethylpropanamide;tert-butyl 2,2-dimethyl-4-[3-[(6-sulfamoyl-2-pyridinyl)amino]butyl]pyrrolidine-1-carboxylate;8-chloro-12,12,17-trimethyl-2,2-dioxo-2λ6-thia-3,9,11,18,23-pentazatetracyclo[17.3.1.111,14.05,10]tetracosa-1(22),5(10),6,8,19(23),20-hexaen-4-one;2,6-dichloro-N-[[6-[4-(3,3-dimethylcyclopentyl)butan-2-ylamino]-2-pyridinyl]sulfonyl]pyridine-3-carboxamide;2,6-dichloropyridine-3-carboxylic acid;3,3-dimethylbutanal;N-[2-(3,3-dimethylbutylamino)ethyl]-2,2-dimethylpropanamide;bis(1-(3,3-dimethylbutyl)imidazolidin-2-one).

Molecular Properties

• Compound Name: N-(2-aminoethyl)-2,2-dimethylpropanamide;tert-butyl 2,2-dimethyl-4-[3-[(6-sulfamoyl-2-pyridinyl)amino]butyl]pyrrolidine-1-carboxylate;8-chloro-12,12,17-trimethyl-2,2-dioxo-2λ6-thia-3,9,11,18,23-pentazatetracyclo[17.3.1.111,14.05,10]tetracosa-1(22),5(10),6,8,19(23),20-hexaen-4-one;2,6-dichloro-N-[[6-[4-(3,3-dimethylcyclopentyl)butan-2-ylamino]-2-pyridinyl]sulfonyl]pyridine-3-carboxamide;2,6-dichloropyridine-3-carboxylic acid;3,3-dimethylbutanal;N-[2-(3,3-dimethylbutylamino)ethyl]-2,2-dimethylpropanamide;bis(1-(3,3-dimethylbutyl)imidazolidin-2-one)
• PubChem CID: 157367815
• Molecular Formula: C113H183Cl5N22O17S3
• Molecular Weight: 2395.31 g/mol
• Exact Mass: 2391.17
• IUPAC Name: N-(2-aminoethyl)-2,2-dimethylpropanamide;tert-butyl 2,2-dimethyl-4-[3-[(6-sulfamoyl-2-pyridinyl)amino]butyl]pyrrolidine-1-carboxylate;8-chloro-12,12,17-trimethyl-2,2-dioxo-2λ6-thia-3,9,11,18,23-pentazatetracyclo[17.3.1.111,14.05,10]tetracosa-1(22),5(10),6,8,19(23),20-hexaen-4-one;2,6-dichloro-N-[[6-[4-(3,3-dimethylcyclopentyl)butan-2-ylamino]-2-pyridinyl]sulfonyl]pyridine-3-carboxamide;2,6-dichloropyridine-3-carboxylic acid;3,3-dimethylbutanal;N-[2-(3,3-dimethylbutylamino)ethyl]-2,2-dimethylpropanamide;bis(1-(3,3-dimethylbutyl)imidazolidin-2-one)
• SMILES: CC(C)(C)C(=O)NCCN.CC(C)(C)CC=O.CC(C)(C)CCN1CCNC1=O.CC(C)(C)CCN1CCNC1=O.CC(C)(C)CCNCCNC(=O)C(C)(C)C.CC(CCC1CCC(C)(C)C1)Nc1cccc(S(=O)(=O)NC(=O)c2ccc(Cl)nc2Cl)n1.CC(CCC1CN(C(=O)OC(C)(C)C)C(C)(C)C1)Nc1cccc(S(N)(=O)=O)n1.CC1CCC2CN(c3nc(Cl)ccc3C(=O)NS(=O)(=O)c3cccc(n3)N1)C(C)(C)C2.O=C(O)c1ccc(Cl)nc1Cl
• InChI: InChI=1S/C22H28Cl2N4O3S.C21H26ClN5O3S.C20H34N4O4S.C13H28N2O.2C9H18N2O.C7H16N2O.C6H3Cl2NO2.C6H12O/c1-14(7-8-15-11-12-22(2,3)13-15)25-18-5-4-6-19(27-18)32(30,31)28-21(29)16-9-10-17(23)26-20(16)24;1-13-7-8-14-11-21(2,3)27(12-14)19-15(9-10-16(22)24-19)20(28)26-31(29,30)18-6-4-5-17(23-13)25-18;1-14(22-16-8-7-9-17(23-16)29(21,26)27)10-11-15-12-20(5,6)24(13-15)18(25)28-19(2,3)4;1-12(2,3)7-8-14-9-10-15-11(16)13(4,5)6;2*1-9(2,3)4-6-11-7-5-10-8(11)12;1-7(2,3)6(10)9-5-4-8;7-4-2-1-3(6(10)11)5(8)9-4;1-6(2,3)4-5-7/h4-6,9-10,14-15H,7-8,11-13H2,1-3H3,(H,25,27)(H,28,29);4-6,9-10,13-14H,7-8,11-12H2,1-3H3,(H,23,25)(H,26,28);7-9,14-15H,10-13H2,1-6H3,(H,22,23)(H2,21,26,27);14H,7-10H2,1-6H3,(H,15,16);2*4-7H2,1-3H3,(H,10,12);4-5,8H2,1-3H3,(H,9,10);1-2H,(H,10,11);5H,4H2,1-3H3
• InChIKey: BJJYZCAZQKODDN-UHFFFAOYSA-N
• XLogP: 20.99
• TPSA: 548.15 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 28
• Rotatable Bonds: 27
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2395.31
LogP ≤ 5	20.99
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2,2-dimethylpropanamide;tert-butyl 2,2-dimethyl-4-[3-[(6-sulfamoyl-2-pyridinyl)amino]butyl]pyrrolidine-1-carboxylate;8-chloro-12,12,17-trimethyl-2,2-dioxo-2λ6-thia-3,9,11,18,23-pentazatetracyclo[17.3.1.111,14.05,10]tetracosa-1(22),5(10),6,8,19(23),20-hexaen-4-one;2,6-dichloro-N-[[6-[4-(3,3-dimethylcyclopentyl)butan-2-ylamino]-2-pyridinyl]sulfonyl]pyridine-3-carboxamide;2,6-dichloropyridine-3-carboxylic acid;3,3-dimethylbutanal;N-[2-(3,3-dimethylbutylamino)ethyl]-2,2-dimethylpropanamide;bis(1-(3,3-dimethylbutyl)imidazolidin-2-one)?

The IUPAC name of N-(2-aminoethyl)-2,2-dimethylpropanamide;tert-butyl 2,2-dimethyl-4-[3-[(6-sulfamoyl-2-pyridinyl)amino]butyl]pyrrolidine-1-carboxylate;8-chloro-12,12,17-trimethyl-2,2-dioxo-2λ6-thia-3,9,11,18,23-pentazatetracyclo[17.3.1.111,14.05,10]tetracosa-1(22),5(10),6,8,19(23),20-hexaen-4-one;2,6-dichloro-N-[[6-[4-(3,3-dimethylcyclopentyl)butan-2-ylamino]-2-pyridinyl]sulfonyl]pyridine-3-carboxamide;2,6-dichloropyridine-3-carboxylic acid;3,3-dimethylbutanal;N-[2-(3,3-dimethylbutylamino)ethyl]-2,2-dimethylpropanamide;bis(1-(3,3-dimethylbutyl)imidazolidin-2-one) (CID 157367815) is N-(2-aminoethyl)-2,2-dimethylpropanamide;tert-butyl 2,2-dimethyl-4-[3-[(6-sulfamoyl-2-pyridinyl)amino]butyl]pyrrolidine-1-carboxylate;8-chloro-12,12,17-trimethyl-2,2-dioxo-2λ6-thia-3,9,11,18,23-pentazatetracyclo[17.3.1.111,14.05,10]tetracosa-1(22),5(10),6,8,19(23),20-hexaen-4-one;2,6-dichloro-N-[[6-[4-(3,3-dimethylcyclopentyl)butan-2-ylamino]-2-pyridinyl]sulfonyl]pyridine-3-carboxamide;2,6-dichloropyridine-3-carboxylic acid;3,3-dimethylbutanal;N-[2-(3,3-dimethylbutylamino)ethyl]-2,2-dimethylpropanamide;bis(1-(3,3-dimethylbutyl)imidazolidin-2-one).

What is the SMILES notation for N-(2-aminoethyl)-2,2-dimethylpropanamide;tert-butyl 2,2-dimethyl-4-[3-[(6-sulfamoyl-2-pyridinyl)amino]butyl]pyrrolidine-1-carboxylate;8-chloro-12,12,17-trimethyl-2,2-dioxo-2λ6-thia-3,9,11,18,23-pentazatetracyclo[17.3.1.111,14.05,10]tetracosa-1(22),5(10),6,8,19(23),20-hexaen-4-one;2,6-dichloro-N-[[6-[4-(3,3-dimethylcyclopentyl)butan-2-ylamino]-2-pyridinyl]sulfonyl]pyridine-3-carboxamide;2,6-dichloropyridine-3-carboxylic acid;3,3-dimethylbutanal;N-[2-(3,3-dimethylbutylamino)ethyl]-2,2-dimethylpropanamide;bis(1-(3,3-dimethylbutyl)imidazolidin-2-one)?

The canonical SMILES for N-(2-aminoethyl)-2,2-dimethylpropanamide;tert-butyl 2,2-dimethyl-4-[3-[(6-sulfamoyl-2-pyridinyl)amino]butyl]pyrrolidine-1-carboxylate;8-chloro-12,12,17-trimethyl-2,2-dioxo-2λ6-thia-3,9,11,18,23-pentazatetracyclo[17.3.1.111,14.05,10]tetracosa-1(22),5(10),6,8,19(23),20-hexaen-4-one;2,6-dichloro-N-[[6-[4-(3,3-dimethylcyclopentyl)butan-2-ylamino]-2-pyridinyl]sulfonyl]pyridine-3-carboxamide;2,6-dichloropyridine-3-carboxylic acid;3,3-dimethylbutanal;N-[2-(3,3-dimethylbutylamino)ethyl]-2,2-dimethylpropanamide;bis(1-(3,3-dimethylbutyl)imidazolidin-2-one) is CC(C)(C)C(=O)NCCN.CC(C)(C)CC=O.CC(C)(C)CCN1CCNC1=O.CC(C)(C)CCN1CCNC1=O.CC(C)(C)CCNCCNC(=O)C(C)(C)C.CC(CCC1CCC(C)(C)C1)Nc1cccc(S(=O)(=O)NC(=O)c2ccc(Cl)nc2Cl)n1.CC(CCC1CN(C(=O)OC(C)(C)C)C(C)(C)C1)Nc1cccc(S(N)(=O)=O)n1.CC1CCC2CN(c3nc(Cl)ccc3C(=O)NS(=O)(=O)c3cccc(n3)N1)C(C)(C)C2.O=C(O)c1ccc(Cl)nc1Cl.

What is the InChIKey of N-(2-aminoethyl)-2,2-dimethylpropanamide;tert-butyl 2,2-dimethyl-4-[3-[(6-sulfamoyl-2-pyridinyl)amino]butyl]pyrrolidine-1-carboxylate;8-chloro-12,12,17-trimethyl-2,2-dioxo-2λ6-thia-3,9,11,18,23-pentazatetracyclo[17.3.1.111,14.05,10]tetracosa-1(22),5(10),6,8,19(23),20-hexaen-4-one;2,6-dichloro-N-[[6-[4-(3,3-dimethylcyclopentyl)butan-2-ylamino]-2-pyridinyl]sulfonyl]pyridine-3-carboxamide;2,6-dichloropyridine-3-carboxylic acid;3,3-dimethylbutanal;N-[2-(3,3-dimethylbutylamino)ethyl]-2,2-dimethylpropanamide;bis(1-(3,3-dimethylbutyl)imidazolidin-2-one)?

The InChIKey is BJJYZCAZQKODDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28Cl2N4O3S.C21H26ClN5O3S.C20H34N4O4S.C13H28N2O.2C9H18N2O.C7H16N2O.C6H3Cl2NO2.C6H12O/c1-14(7-8-15-11-12-22(2,3)13-15)25-18-5-4-6-19(27-18)32(30,31)28-21(29)16-9-10-17(23)26-20(16)24;1-13-7-8-14-11-21(2,3)27(12-14)19-15(9-10-16(22)24-19)20(28)26-31(29,30)18-6-4-5-17(23-13)25-18;1-14(22-16-8-7-9-17(23-16)29(21,26)27)10-11-15-12-20(5,6)24(13-15)18(25)28-19(2,3)4;1-12(2,3)7-8-14-9-10-15-11(16)13(4,5)6;2*1-9(2,3)4-6-11-7-5-10-8(11)12;1-7(2,3)6(10)9-5-4-8;7-4-2-1-3(6(10)11)5(8)9-4;1-6(2,3)4-5-7/h4-6,9-10,14-15H,7-8,11-13H2,1-3H3,(H,25,27)(H,28,29);4-6,9-10,13-14H,7-8,11-12H2,1-3H3,(H,23,25)(H,26,28);7-9,14-15H,10-13H2,1-6H3,(H,22,23)(H2,21,26,27);14H,7-10H2,1-6H3,(H,15,16);2*4-7H2,1-3H3,(H,10,12);4-5,8H2,1-3H3,(H,9,10);1-2H,(H,10,11);5H,4H2,1-3H3.

What are the key properties of N-(2-aminoethyl)-2,2-dimethylpropanamide;tert-butyl 2,2-dimethyl-4-[3-[(6-sulfamoyl-2-pyridinyl)amino]butyl]pyrrolidine-1-carboxylate;8-chloro-12,12,17-trimethyl-2,2-dioxo-2λ6-thia-3,9,11,18,23-pentazatetracyclo[17.3.1.111,14.05,10]tetracosa-1(22),5(10),6,8,19(23),20-hexaen-4-one;2,6-dichloro-N-[[6-[4-(3,3-dimethylcyclopentyl)butan-2-ylamino]-2-pyridinyl]sulfonyl]pyridine-3-carboxamide;2,6-dichloropyridine-3-carboxylic acid;3,3-dimethylbutanal;N-[2-(3,3-dimethylbutylamino)ethyl]-2,2-dimethylpropanamide;bis(1-(3,3-dimethylbutyl)imidazolidin-2-one)?

N-(2-aminoethyl)-2,2-dimethylpropanamide;tert-butyl 2,2-dimethyl-4-[3-[(6-sulfamoyl-2-pyridinyl)amino]butyl]pyrrolidine-1-carboxylate;8-chloro-12,12,17-trimethyl-2,2-dioxo-2λ6-thia-3,9,11,18,23-pentazatetracyclo[17.3.1.111,14.05,10]tetracosa-1(22),5(10),6,8,19(23),20-hexaen-4-one;2,6-dichloro-N-[[6-[4-(3,3-dimethylcyclopentyl)butan-2-ylamino]-2-pyridinyl]sulfonyl]pyridine-3-carboxamide;2,6-dichloropyridine-3-carboxylic acid;3,3-dimethylbutanal;N-[2-(3,3-dimethylbutylamino)ethyl]-2,2-dimethylpropanamide;bis(1-(3,3-dimethylbutyl)imidazolidin-2-one) has a molecular weight of 2395.31 g/mol, XLogP of 20.99, 27 rotatable bonds, 13 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-aminoethyl)-2,2-dimethylpropanamide;tert-butyl 2,2-dimethyl-4-[3-[(6-sulfamoyl-2-pyridinyl)amino]butyl]pyrrolidine-1-carboxylate;8-chloro-12,12,17-trimethyl-2,2-dioxo-2λ6-thia-3,9,11,18,23-pentazatetracyclo[17.3.1.111,14.05,10]tetracosa-1(22),5(10),6,8,19(23),20-hexaen-4-one;2,6-dichloro-N-[[6-[4-(3,3-dimethylcyclopentyl)butan-2-ylamino]-2-pyridinyl]sulfonyl]pyridine-3-carboxamide;2,6-dichloropyridine-3-carboxylic acid;3,3-dimethylbutanal;N-[2-(3,3-dimethylbutylamino)ethyl]-2,2-dimethylpropanamide;bis(1-(3,3-dimethylbutyl)imidazolidin-2-one) is sourced from PubChem (CID 157367815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).