(3-chlorophenyl)methyl N-[(2S)-1-[[1-(8-acetyl-2-oxo-1,8-diazaspiro[4.5]decan-3-yl)-3-oxopropan-2-yl]amino]-3-(3-fluorophenyl)-1-oxopropan-2-yl]carbamate

C30H34ClFN4O6 — CID 156883629

IUPAC(3-chlorophenyl)methyl N-[(2S)-1-[[1-(8-acetyl-2-oxo-1,8-diazaspiro[4.5]decan-3-yl)-3-oxopropan-2-yl]amino]-3-(3-fluorophenyl)-1-oxopropan-2-yl]carbamate
SMILESCC(=O)N1CCC2(CC1)CC(CC(C=O)NC(=O)[C@H](Cc1cccc(F)c1)NC(=O)OCc1cccc(Cl)c1)C(=O)N2
InChIInChI=1S/C30H34ClFN4O6/c1-19(38)36-10-8-30(9-11-36)16-22(27(39)35-30)15-25(17-37)33-28(40)26(14-20-4-3-7-24(32)13-20)34-29(41)42-18-21-5-2-6-23(31)12-21/h2-7,12-13,17,22,25-26H,8-11,14-16,18H2,1H3,(H,33,40)(H,34,41)(H,35,39)/t22?,25?,26-/m0/s1
InChIKeyIFFUVVTVRLMWRX-BOPKNSRXSA-N
MW601.08 g/mol
LogP2.91
Rot. Bonds10

About (3-chlorophenyl)methyl N-[(2S)-1-[[1-(8-acetyl-2-oxo-1,8-diazaspiro[4.5]decan-3-yl)-3-oxopropan-2-yl]amino]-3-(3-fluorophenyl)-1-oxopropan-2-yl]carbamate

(3-chlorophenyl)methyl N-[(2S)-1-[[1-(8-acetyl-2-oxo-1,8-diazaspiro[4.5]decan-3-yl)-3-oxopropan-2-yl]amino]-3-(3-fluorophenyl)-1-oxopropan-2-yl]carbamate (PubChem CID 156883629) has the molecular formula C30H34ClFN4O6 and a molecular weight of 601.08 g/mol. Its IUPAC name is (3-chlorophenyl)methyl N-[(2S)-1-[[1-(8-acetyl-2-oxo-1,8-diazaspiro[4.5]decan-3-yl)-3-oxopropan-2-yl]amino]-3-(3-fluorophenyl)-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Name(3-chlorophenyl)methyl N-[(2S)-1-[[1-(8-acetyl-2-oxo-1,8-diazaspiro[4.5]decan-3-yl)-3-oxopropan-2-yl]amino]-3-(3-fluorophenyl)-1-oxopropan-2-yl]carbamate
PubChem CID156883629
Molecular FormulaC30H34ClFN4O6
Molecular Weight601.08 g/mol
Exact Mass600.22
IUPAC Name(3-chlorophenyl)methyl N-[(2S)-1-[[1-(8-acetyl-2-oxo-1,8-diazaspiro[4.5]decan-3-yl)-3-oxopropan-2-yl]amino]-3-(3-fluorophenyl)-1-oxopropan-2-yl]carbamate
SMILESCC(=O)N1CCC2(CC1)CC(CC(C=O)NC(=O)[C@H](Cc1cccc(F)c1)NC(=O)OCc1cccc(Cl)c1)C(=O)N2
InChIInChI=1S/C30H34ClFN4O6/c1-19(38)36-10-8-30(9-11-36)16-22(27(39)35-30)15-25(17-37)33-28(40)26(14-20-4-3-7-24(32)13-20)34-29(41)42-18-21-5-2-6-23(31)12-21/h2-7,12-13,17,22,25-26H,8-11,14-16,18H2,1H3,(H,33,40)(H,34,41)(H,35,39)/t22?,25?,26-/m0/s1
InChIKeyIFFUVVTVRLMWRX-BOPKNSRXSA-N
XLogP2.91
TPSA133.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500601.08
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze (3-chlorophenyl)methyl N-[(2S)-1-[[1-(8-acetyl-2-oxo-1,8-diazaspiro[4.5]decan-3-yl)-3-oxopropan-2-yl]amino]-3-(3-fluorophenyl)-1-oxopropan-2-yl]carbamate with MolForge

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Related Compounds

(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
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
(3-fluorophenyl)methyl N-[(2S)-3-cyclopropyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]carbamate
CID 164620821
[2-(3-chlorophenyl)-2-methylpropyl] N-[(2S)-1-[[1-(8-acetyl-2-oxo-1,8-diazaspiro[4.5]decan-3-yl)-3-hydroxypropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
CID 156884114
(2R)-2-[(3-chlorophenyl)methoxycarbonylamino]-3-(3-fluorophenyl)propanoic acid
CID 156884176
[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
(3-chlorophenyl)methyl N-[(2R)-1-[[1-diethoxyphosphoryl-1-hydroxy-3-(2-oxo-1-azaspiro[4.5]decan-3-yl)propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
CID 156883725
1-chloro-3-[(2-methoxycyclopentyl)methyl]benzene;N-fluoro-N-[[1-oxo-3-(2-oxo-8-sulfanyl-1,8-diazaspiro[4.5]decan-3-yl)propan-2-yl]carbamoyl]formamide;methylcyclohexane
CID 156883846
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
(3-chlorophenyl)methyl N-[3-cyclohexyl-1-[[1-(methylcarbamoyloxy)-3-oxopropan-2-yl]amino]-1-oxopropan-2-yl]carbamate
CID 156858367
[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl]methyl N-[4-methyl-1-oxo-1-[[1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]pentan-2-yl]carbamate
CID 172872070

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)methyl N-[(2S)-1-[[1-(8-acetyl-2-oxo-1,8-diazaspiro[4.5]decan-3-yl)-3-oxopropan-2-yl]amino]-3-(3-fluorophenyl)-1-oxopropan-2-yl]carbamate?
The IUPAC name of (3-chlorophenyl)methyl N-[(2S)-1-[[1-(8-acetyl-2-oxo-1,8-diazaspiro[4.5]decan-3-yl)-3-oxopropan-2-yl]amino]-3-(3-fluorophenyl)-1-oxopropan-2-yl]carbamate (CID 156883629) is (3-chlorophenyl)methyl N-[(2S)-1-[[1-(8-acetyl-2-oxo-1,8-diazaspiro[4.5]decan-3-yl)-3-oxopropan-2-yl]amino]-3-(3-fluorophenyl)-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for (3-chlorophenyl)methyl N-[(2S)-1-[[1-(8-acetyl-2-oxo-1,8-diazaspiro[4.5]decan-3-yl)-3-oxopropan-2-yl]amino]-3-(3-fluorophenyl)-1-oxopropan-2-yl]carbamate?
The canonical SMILES for (3-chlorophenyl)methyl N-[(2S)-1-[[1-(8-acetyl-2-oxo-1,8-diazaspiro[4.5]decan-3-yl)-3-oxopropan-2-yl]amino]-3-(3-fluorophenyl)-1-oxopropan-2-yl]carbamate is CC(=O)N1CCC2(CC1)CC(CC(C=O)NC(=O)[C@H](Cc1cccc(F)c1)NC(=O)OCc1cccc(Cl)c1)C(=O)N2.
What is the InChIKey of (3-chlorophenyl)methyl N-[(2S)-1-[[1-(8-acetyl-2-oxo-1,8-diazaspiro[4.5]decan-3-yl)-3-oxopropan-2-yl]amino]-3-(3-fluorophenyl)-1-oxopropan-2-yl]carbamate?
The InChIKey is IFFUVVTVRLMWRX-BOPKNSRXSA-N. The full InChI is InChI=1S/C30H34ClFN4O6/c1-19(38)36-10-8-30(9-11-36)16-22(27(39)35-30)15-25(17-37)33-28(40)26(14-20-4-3-7-24(32)13-20)34-29(41)42-18-21-5-2-6-23(31)12-21/h2-7,12-13,17,22,25-26H,8-11,14-16,18H2,1H3,(H,33,40)(H,34,41)(H,35,39)/t22?,25?,26-/m0/s1.
What are the key properties of (3-chlorophenyl)methyl N-[(2S)-1-[[1-(8-acetyl-2-oxo-1,8-diazaspiro[4.5]decan-3-yl)-3-oxopropan-2-yl]amino]-3-(3-fluorophenyl)-1-oxopropan-2-yl]carbamate?
(3-chlorophenyl)methyl N-[(2S)-1-[[1-(8-acetyl-2-oxo-1,8-diazaspiro[4.5]decan-3-yl)-3-oxopropan-2-yl]amino]-3-(3-fluorophenyl)-1-oxopropan-2-yl]carbamate has a molecular weight of 601.08 g/mol, XLogP of 2.91, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)methyl N-[(2S)-1-[[1-(8-acetyl-2-oxo-1,8-diazaspiro[4.5]decan-3-yl)-3-oxopropan-2-yl]amino]-3-(3-fluorophenyl)-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 156883629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).