[2-[(3-chlorophenyl)methyl]cyclopentyl] N-[(2S)-3-cyclohexyl-1-[[1-hydroxy-3-(2-oxo-1-azaspiro[4.4]nonan-3-yl)propan-2-yl]amino]-1-oxopropan-2-yl]carbamate

C33H48ClN3O5 — CID 156884159

IUPAC[2-[(3-chlorophenyl)methyl]cyclopentyl] N-[(2S)-3-cyclohexyl-1-[[1-hydroxy-3-(2-oxo-1-azaspiro[4.4]nonan-3-yl)propan-2-yl]amino]-1-oxopropan-2-yl]carbamate
SMILESO=C(N[C@@H](CC1CCCCC1)C(=O)NC(CO)CC1CC2(CCCC2)NC1=O)OC1CCCC1Cc1cccc(Cl)c1
InChIInChI=1S/C33H48ClN3O5/c34-26-12-6-10-23(17-26)16-24-11-7-13-29(24)42-32(41)36-28(18-22-8-2-1-3-9-22)31(40)35-27(21-38)19-25-20-33(37-30(25)39)14-4-5-15-33/h6,10,12,17,22,24-25,27-29,38H,1-5,7-9,11,13-16,18-21H2,(H,35,40)(H,36,41)(H,37,39)/t24?,25?,27?,28-,29?/m0/s1
InChIKeyXNTNDTJRNQSLRQ-BSZMJMFWSA-N
MW602.22 g/mol
LogP5.43
Rot. Bonds11

About [2-[(3-chlorophenyl)methyl]cyclopentyl] N-[(2S)-3-cyclohexyl-1-[[1-hydroxy-3-(2-oxo-1-azaspiro[4.4]nonan-3-yl)propan-2-yl]amino]-1-oxopropan-2-yl]carbamate

[2-[(3-chlorophenyl)methyl]cyclopentyl] N-[(2S)-3-cyclohexyl-1-[[1-hydroxy-3-(2-oxo-1-azaspiro[4.4]nonan-3-yl)propan-2-yl]amino]-1-oxopropan-2-yl]carbamate (PubChem CID 156884159) has the molecular formula C33H48ClN3O5 and a molecular weight of 602.22 g/mol. Its IUPAC name is [2-[(3-chlorophenyl)methyl]cyclopentyl] N-[(2S)-3-cyclohexyl-1-[[1-hydroxy-3-(2-oxo-1-azaspiro[4.4]nonan-3-yl)propan-2-yl]amino]-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Name[2-[(3-chlorophenyl)methyl]cyclopentyl] N-[(2S)-3-cyclohexyl-1-[[1-hydroxy-3-(2-oxo-1-azaspiro[4.4]nonan-3-yl)propan-2-yl]amino]-1-oxopropan-2-yl]carbamate
PubChem CID156884159
Molecular FormulaC33H48ClN3O5
Molecular Weight602.22 g/mol
Exact Mass601.33
IUPAC Name[2-[(3-chlorophenyl)methyl]cyclopentyl] N-[(2S)-3-cyclohexyl-1-[[1-hydroxy-3-(2-oxo-1-azaspiro[4.4]nonan-3-yl)propan-2-yl]amino]-1-oxopropan-2-yl]carbamate
SMILESO=C(N[C@@H](CC1CCCCC1)C(=O)NC(CO)CC1CC2(CCCC2)NC1=O)OC1CCCC1Cc1cccc(Cl)c1
InChIInChI=1S/C33H48ClN3O5/c34-26-12-6-10-23(17-26)16-24-11-7-13-29(24)42-32(41)36-28(18-22-8-2-1-3-9-22)31(40)35-27(21-38)19-25-20-33(37-30(25)39)14-4-5-15-33/h6,10,12,17,22,24-25,27-29,38H,1-5,7-9,11,13-16,18-21H2,(H,35,40)(H,36,41)(H,37,39)/t24?,25?,27?,28-,29?/m0/s1
InChIKeyXNTNDTJRNQSLRQ-BSZMJMFWSA-N
XLogP5.43
TPSA116.76 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.22
LogP ≤ 55.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze [2-[(3-chlorophenyl)methyl]cyclopentyl] N-[(2S)-3-cyclohexyl-1-[[1-hydroxy-3-(2-oxo-1-azaspiro[4.4]nonan-3-yl)propan-2-yl]amino]-1-oxopropan-2-yl]carbamate with MolForge

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Related Compounds

methyl 2-[[(2S)-2-[[2-[(3-chlorophenyl)methyl]cyclopentyl]oxycarbonylamino]-3-cyclohexylpropanoyl]amino]-3-(5,5-dimethyl-2-oxopyrrolidin-3-yl)propanoate
CID 156883607
methyl 2-[[(2S)-2-[(3-chlorophenyl)methoxycarbonylamino]-3-cyclohexylpropanoyl]amino]-3-(2-oxo-1-azaspiro[4.5]decan-3-yl)propanoate
CID 156884266
methyl 2-[[2-[(3-chlorophenyl)methoxycarbonylamino]-3-cyclohexylpropanoyl]amino]-3-(2-oxo-1-azaspiro[4.5]decan-3-yl)propanoate
CID 175380095
[(2S)-3-cyclohexyl-1-[[(2S)-1-[(3S)-8-(2,2-dimethylpropanoyl)-2-oxo-1,8-diazaspiro[4.5]decan-3-yl]-3-hydroxypropan-2-yl]amino]-1-oxopropan-2-yl] N-[2-[(3-chlorophenyl)methyl]cyclopentyl]carbamate
CID 156884539
1-chloro-3-[(2-methoxycyclopentyl)methyl]benzene;N-(cyclohexylmethyl)formamide;ethane;methyl 2-acetamido-3-(2-oxo-1,8-diazaspiro[4.5]decan-3-yl)propanoate
CID 156884306
ethyl (2S)-2-[[(2S)-2-[[2-[(3-chlorophenyl)methyl]cyclopentyl]oxycarbonylamino]-3-phenylpropanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate
CID 167435601
(3-chlorophenyl)methyl N-[(2S)-3-cyclohexyl-1-[[1-[8-(2,2-dimethylpropanoyl)-2-oxo-1,8-diazaspiro[4.5]decan-3-yl]-3-oxopropan-2-yl]amino]-1-oxopropan-2-yl]carbamate
CID 156884012
(3-chlorophenyl)methyl N-[(2S)-3-cyclohexyl-1-[[1-hydroxy-3-[2-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]propan-2-yl]amino]-1-oxopropan-2-yl]carbamate
CID 175380241
[1-(3-chlorophenyl)cyclopropyl]methyl N-[(2S)-1-[[(1S)-1-cyano-2-(5-oxo-4-azaspiro[2.4]heptan-6-yl)ethyl]amino]-3-cyclohexyl-1-oxopropan-2-yl]carbamate;sulfane
CID 167606838
[2-[(3-chlorophenyl)methyl]cyclopentyl] N-[1-[[4-(cyclopropylamino)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 175389055
methyl 2-[[(2S)-2-[(3-chlorophenyl)methoxycarbonylamino]sulfanyl-3-cyclohexylpropanoyl]amino]-3-(2-oxo-8-oxa-1-azaspiro[4.5]decan-3-yl)propanoate
CID 156884347
[2-(3-chlorophenyl)-1-phenylethyl] N-[3-cyclohexyl-1-[[1-(5,5-dimethyl-2-oxopyrrolidin-3-yl)-3-oxopropan-2-yl]amino]-1-oxopropan-2-yl]carbamate
CID 175379760

Frequently Asked Questions

What is the IUPAC name of [2-[(3-chlorophenyl)methyl]cyclopentyl] N-[(2S)-3-cyclohexyl-1-[[1-hydroxy-3-(2-oxo-1-azaspiro[4.4]nonan-3-yl)propan-2-yl]amino]-1-oxopropan-2-yl]carbamate?
The IUPAC name of [2-[(3-chlorophenyl)methyl]cyclopentyl] N-[(2S)-3-cyclohexyl-1-[[1-hydroxy-3-(2-oxo-1-azaspiro[4.4]nonan-3-yl)propan-2-yl]amino]-1-oxopropan-2-yl]carbamate (CID 156884159) is [2-[(3-chlorophenyl)methyl]cyclopentyl] N-[(2S)-3-cyclohexyl-1-[[1-hydroxy-3-(2-oxo-1-azaspiro[4.4]nonan-3-yl)propan-2-yl]amino]-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for [2-[(3-chlorophenyl)methyl]cyclopentyl] N-[(2S)-3-cyclohexyl-1-[[1-hydroxy-3-(2-oxo-1-azaspiro[4.4]nonan-3-yl)propan-2-yl]amino]-1-oxopropan-2-yl]carbamate?
The canonical SMILES for [2-[(3-chlorophenyl)methyl]cyclopentyl] N-[(2S)-3-cyclohexyl-1-[[1-hydroxy-3-(2-oxo-1-azaspiro[4.4]nonan-3-yl)propan-2-yl]amino]-1-oxopropan-2-yl]carbamate is O=C(N[C@@H](CC1CCCCC1)C(=O)NC(CO)CC1CC2(CCCC2)NC1=O)OC1CCCC1Cc1cccc(Cl)c1.
What is the InChIKey of [2-[(3-chlorophenyl)methyl]cyclopentyl] N-[(2S)-3-cyclohexyl-1-[[1-hydroxy-3-(2-oxo-1-azaspiro[4.4]nonan-3-yl)propan-2-yl]amino]-1-oxopropan-2-yl]carbamate?
The InChIKey is XNTNDTJRNQSLRQ-BSZMJMFWSA-N. The full InChI is InChI=1S/C33H48ClN3O5/c34-26-12-6-10-23(17-26)16-24-11-7-13-29(24)42-32(41)36-28(18-22-8-2-1-3-9-22)31(40)35-27(21-38)19-25-20-33(37-30(25)39)14-4-5-15-33/h6,10,12,17,22,24-25,27-29,38H,1-5,7-9,11,13-16,18-21H2,(H,35,40)(H,36,41)(H,37,39)/t24?,25?,27?,28-,29?/m0/s1.
What are the key properties of [2-[(3-chlorophenyl)methyl]cyclopentyl] N-[(2S)-3-cyclohexyl-1-[[1-hydroxy-3-(2-oxo-1-azaspiro[4.4]nonan-3-yl)propan-2-yl]amino]-1-oxopropan-2-yl]carbamate?
[2-[(3-chlorophenyl)methyl]cyclopentyl] N-[(2S)-3-cyclohexyl-1-[[1-hydroxy-3-(2-oxo-1-azaspiro[4.4]nonan-3-yl)propan-2-yl]amino]-1-oxopropan-2-yl]carbamate has a molecular weight of 602.22 g/mol, XLogP of 5.43, 11 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-chlorophenyl)methyl]cyclopentyl] N-[(2S)-3-cyclohexyl-1-[[1-hydroxy-3-(2-oxo-1-azaspiro[4.4]nonan-3-yl)propan-2-yl]amino]-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 156884159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).