tert-butyl N-(2-aminoethyl)carbamate;tert-butyl N-[2-[3-(1-methylcyclopropyl)propylamino]ethyl]carbamate;(14S)-8-chloro-12,12-dimethyl-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;(14S)-12,12-dimethyl-8-[3-[3-(1-methylcyclopropyl)propyl]-2-oxoimidazolidin-1-yl]-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;3-(1-methylcyclopropyl)propanal;3-(1-methylcyclopropyl)propan-1-ol;1-[3-(1-methylcyclopropyl)propyl]imidazolidin-2-one

C95H153ClN18O14S2 — CID 159848751

About tert-butyl N-(2-aminoethyl)carbamate;tert-butyl N-[2-[3-(1-methylcyclopropyl)propylamino]ethyl]carbamate;(14S)-8-chloro-12,12-dimethyl-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;(14S)-12,12-dimethyl-8-[3-[3-(1-methylcyclopropyl)propyl]-2-oxoimidazolidin-1-yl]-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;3-(1-methylcyclopropyl)propanal;3-(1-methylcyclopropyl)propan-1-ol;1-[3-(1-methylcyclopropyl)propyl]imidazolidin-2-one

tert-butyl N-(2-aminoethyl)carbamate;tert-butyl N-[2-[3-(1-methylcyclopropyl)propylamino]ethyl]carbamate;(14S)-8-chloro-12,12-dimethyl-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;(14S)-12,12-dimethyl-8-[3-[3-(1-methylcyclopropyl)propyl]-2-oxoimidazolidin-1-yl]-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;3-(1-methylcyclopropyl)propanal;3-(1-methylcyclopropyl)propan-1-ol;1-[3-(1-methylcyclopropyl)propyl]imidazolidin-2-one (PubChem CID 159848751) has the molecular formula C95H153ClN18O14S2 and a molecular weight of 1870.97 g/mol. Its IUPAC name is tert-butyl N-(2-aminoethyl)carbamate;tert-butyl N-[2-[3-(1-methylcyclopropyl)propylamino]ethyl]carbamate;(14S)-8-chloro-12,12-dimethyl-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;(14S)-12,12-dimethyl-8-[3-[3-(1-methylcyclopropyl)propyl]-2-oxoimidazolidin-1-yl]-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;3-(1-methylcyclopropyl)propanal;3-(1-methylcyclopropyl)propan-1-ol;1-[3-(1-methylcyclopropyl)propyl]imidazolidin-2-one.

Molecular Properties

• Compound Name: tert-butyl N-(2-aminoethyl)carbamate;tert-butyl N-[2-[3-(1-methylcyclopropyl)propylamino]ethyl]carbamate;(14S)-8-chloro-12,12-dimethyl-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;(14S)-12,12-dimethyl-8-[3-[3-(1-methylcyclopropyl)propyl]-2-oxoimidazolidin-1-yl]-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;3-(1-methylcyclopropyl)propanal;3-(1-methylcyclopropyl)propan-1-ol;1-[3-(1-methylcyclopropyl)propyl]imidazolidin-2-one
• PubChem CID: 159848751
• Molecular Formula: C95H153ClN18O14S2
• Molecular Weight: 1870.97 g/mol
• Exact Mass: 1869.09
• IUPAC Name: tert-butyl N-(2-aminoethyl)carbamate;tert-butyl N-[2-[3-(1-methylcyclopropyl)propylamino]ethyl]carbamate;(14S)-8-chloro-12,12-dimethyl-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;(14S)-12,12-dimethyl-8-[3-[3-(1-methylcyclopropyl)propyl]-2-oxoimidazolidin-1-yl]-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;3-(1-methylcyclopropyl)propanal;3-(1-methylcyclopropyl)propan-1-ol;1-[3-(1-methylcyclopropyl)propyl]imidazolidin-2-one
• SMILES: CC(C)(C)OC(=O)NCCN.CC1(C)C[C@@H]2CCCNc3cccc(n3)S(=O)(=O)NC(=O)c3ccc(Cl)nc3N1C2.CC1(CCC=O)CC1.CC1(CCCN2CCN(c3ccc4c(n3)N3C[C@@H](CCCNc5cccc(n5)S(=O)(=O)NC4=O)CC3(C)C)C2=O)CC1.CC1(CCCN2CCNC2=O)CC1.CC1(CCCNCCNC(=O)OC(C)(C)C)CC1.CC1(CCCO)CC1
• InChI: InChI=1S/C30H41N7O4S.C20H24ClN5O3S.C14H28N2O2.C10H18N2O.C7H16N2O2.C7H14O.C7H12O/c1-29(2)19-21-7-5-15-31-23-8-4-9-25(32-23)42(40,41)34-27(38)22-10-11-24(33-26(22)37(29)20-21)36-18-17-35(28(36)39)16-6-12-30(3)13-14-30;1-20(2)11-13-5-4-10-22-16-6-3-7-17(24-16)30(28,29)25-19(27)14-8-9-15(21)23-18(14)26(20)12-13;1-13(2,3)18-12(17)16-11-10-15-9-5-6-14(4)7-8-14;1-10(4-5-10)3-2-7-12-8-6-11-9(12)13;1-7(2,3)11-6(10)9-5-4-8;2*1-7(4-5-7)3-2-6-8/h4,8-11,21H,5-7,12-20H2,1-3H3,(H,31,32)(H,34,38);3,6-9,13H,4-5,10-12H2,1-2H3,(H,22,24)(H,25,27);15H,5-11H2,1-4H3,(H,16,17);2-8H2,1H3,(H,11,13);4-5,8H2,1-3H3,(H,9,10);8H,2-6H2,1H3;6H,2-5H2,1H3/t21-;13-;;;;;/m00...../s1
• InChIKey: NPQMVZSQOUWQPF-CCDPTCPRSA-N
• XLogP: 15.35
• TPSA: 416.48 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 24
• Rotatable Bonds: 24
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1870.97
LogP ≤ 5	15.35
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	24

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 tert-butyl N-(2-aminoethyl)carbamate;tert-butyl N-[2-[3-(1-methylcyclopropyl)propylamino]ethyl]carbamate;(14S)-8-chloro-12,12-dimethyl-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;(14S)-12,12-dimethyl-8-[3-[3-(1-methylcyclopropyl)propyl]-2-oxoimidazolidin-1-yl]-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;3-(1-methylcyclopropyl)propanal;3-(1-methylcyclopropyl)propan-1-ol;1-[3-(1-methylcyclopropyl)propyl]imidazolidin-2-one?

The IUPAC name of tert-butyl N-(2-aminoethyl)carbamate;tert-butyl N-[2-[3-(1-methylcyclopropyl)propylamino]ethyl]carbamate;(14S)-8-chloro-12,12-dimethyl-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;(14S)-12,12-dimethyl-8-[3-[3-(1-methylcyclopropyl)propyl]-2-oxoimidazolidin-1-yl]-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;3-(1-methylcyclopropyl)propanal;3-(1-methylcyclopropyl)propan-1-ol;1-[3-(1-methylcyclopropyl)propyl]imidazolidin-2-one (CID 159848751) is tert-butyl N-(2-aminoethyl)carbamate;tert-butyl N-[2-[3-(1-methylcyclopropyl)propylamino]ethyl]carbamate;(14S)-8-chloro-12,12-dimethyl-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;(14S)-12,12-dimethyl-8-[3-[3-(1-methylcyclopropyl)propyl]-2-oxoimidazolidin-1-yl]-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;3-(1-methylcyclopropyl)propanal;3-(1-methylcyclopropyl)propan-1-ol;1-[3-(1-methylcyclopropyl)propyl]imidazolidin-2-one.

What is the SMILES notation for tert-butyl N-(2-aminoethyl)carbamate;tert-butyl N-[2-[3-(1-methylcyclopropyl)propylamino]ethyl]carbamate;(14S)-8-chloro-12,12-dimethyl-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;(14S)-12,12-dimethyl-8-[3-[3-(1-methylcyclopropyl)propyl]-2-oxoimidazolidin-1-yl]-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;3-(1-methylcyclopropyl)propanal;3-(1-methylcyclopropyl)propan-1-ol;1-[3-(1-methylcyclopropyl)propyl]imidazolidin-2-one?

The canonical SMILES for tert-butyl N-(2-aminoethyl)carbamate;tert-butyl N-[2-[3-(1-methylcyclopropyl)propylamino]ethyl]carbamate;(14S)-8-chloro-12,12-dimethyl-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;(14S)-12,12-dimethyl-8-[3-[3-(1-methylcyclopropyl)propyl]-2-oxoimidazolidin-1-yl]-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;3-(1-methylcyclopropyl)propanal;3-(1-methylcyclopropyl)propan-1-ol;1-[3-(1-methylcyclopropyl)propyl]imidazolidin-2-one is CC(C)(C)OC(=O)NCCN.CC1(C)C[C@@H]2CCCNc3cccc(n3)S(=O)(=O)NC(=O)c3ccc(Cl)nc3N1C2.CC1(CCC=O)CC1.CC1(CCCN2CCN(c3ccc4c(n3)N3C[C@@H](CCCNc5cccc(n5)S(=O)(=O)NC4=O)CC3(C)C)C2=O)CC1.CC1(CCCN2CCNC2=O)CC1.CC1(CCCNCCNC(=O)OC(C)(C)C)CC1.CC1(CCCO)CC1.

What is the InChIKey of tert-butyl N-(2-aminoethyl)carbamate;tert-butyl N-[2-[3-(1-methylcyclopropyl)propylamino]ethyl]carbamate;(14S)-8-chloro-12,12-dimethyl-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;(14S)-12,12-dimethyl-8-[3-[3-(1-methylcyclopropyl)propyl]-2-oxoimidazolidin-1-yl]-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;3-(1-methylcyclopropyl)propanal;3-(1-methylcyclopropyl)propan-1-ol;1-[3-(1-methylcyclopropyl)propyl]imidazolidin-2-one?

The InChIKey is NPQMVZSQOUWQPF-CCDPTCPRSA-N. The full InChI is InChI=1S/C30H41N7O4S.C20H24ClN5O3S.C14H28N2O2.C10H18N2O.C7H16N2O2.C7H14O.C7H12O/c1-29(2)19-21-7-5-15-31-23-8-4-9-25(32-23)42(40,41)34-27(38)22-10-11-24(33-26(22)37(29)20-21)36-18-17-35(28(36)39)16-6-12-30(3)13-14-30;1-20(2)11-13-5-4-10-22-16-6-3-7-17(24-16)30(28,29)25-19(27)14-8-9-15(21)23-18(14)26(20)12-13;1-13(2,3)18-12(17)16-11-10-15-9-5-6-14(4)7-8-14;1-10(4-5-10)3-2-7-12-8-6-11-9(12)13;1-7(2,3)11-6(10)9-5-4-8;2*1-7(4-5-7)3-2-6-8/h4,8-11,21H,5-7,12-20H2,1-3H3,(H,31,32)(H,34,38);3,6-9,13H,4-5,10-12H2,1-2H3,(H,22,24)(H,25,27);15H,5-11H2,1-4H3,(H,16,17);2-8H2,1H3,(H,11,13);4-5,8H2,1-3H3,(H,9,10);8H,2-6H2,1H3;6H,2-5H2,1H3/t21-;13-;;;;;/m00...../s1.

What are the key properties of tert-butyl N-(2-aminoethyl)carbamate;tert-butyl N-[2-[3-(1-methylcyclopropyl)propylamino]ethyl]carbamate;(14S)-8-chloro-12,12-dimethyl-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;(14S)-12,12-dimethyl-8-[3-[3-(1-methylcyclopropyl)propyl]-2-oxoimidazolidin-1-yl]-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;3-(1-methylcyclopropyl)propanal;3-(1-methylcyclopropyl)propan-1-ol;1-[3-(1-methylcyclopropyl)propyl]imidazolidin-2-one?

tert-butyl N-(2-aminoethyl)carbamate;tert-butyl N-[2-[3-(1-methylcyclopropyl)propylamino]ethyl]carbamate;(14S)-8-chloro-12,12-dimethyl-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;(14S)-12,12-dimethyl-8-[3-[3-(1-methylcyclopropyl)propyl]-2-oxoimidazolidin-1-yl]-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;3-(1-methylcyclopropyl)propanal;3-(1-methylcyclopropyl)propan-1-ol;1-[3-(1-methylcyclopropyl)propyl]imidazolidin-2-one has a molecular weight of 1870.97 g/mol, XLogP of 15.35, 24 rotatable bonds, 10 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-(2-aminoethyl)carbamate;tert-butyl N-[2-[3-(1-methylcyclopropyl)propylamino]ethyl]carbamate;(14S)-8-chloro-12,12-dimethyl-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;(14S)-12,12-dimethyl-8-[3-[3-(1-methylcyclopropyl)propyl]-2-oxoimidazolidin-1-yl]-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;3-(1-methylcyclopropyl)propanal;3-(1-methylcyclopropyl)propan-1-ol;1-[3-(1-methylcyclopropyl)propyl]imidazolidin-2-one is sourced from PubChem (CID 159848751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).