(3S)-1-(2-methylpropyl)-5-oxo-N-(4-phenylcyclohexyl)pyrrolidine-3-carboxamide

C21H30N2O2 — CID 37352761

IUPAC(3S)-1-(2-methylpropyl)-5-oxo-N-(4-phenylcyclohexyl)pyrrolidine-3-carboxamide
SMILESCC(C)CN1C[C@@H](C(=O)NC2CCC(c3ccccc3)CC2)CC1=O
InChIInChI=1S/C21H30N2O2/c1-15(2)13-23-14-18(12-20(23)24)21(25)22-19-10-8-17(9-11-19)16-6-4-3-5-7-16/h3-7,15,17-19H,8-14H2,1-2H3,(H,22,25)/t17?,18-,19?/m0/s1
InChIKeyCSKMSRUOEWFPJQ-XBMUEBEBSA-N
MW342.48 g/mol
LogP3.33
Rot. Bonds5

About (3S)-1-(2-methylpropyl)-5-oxo-N-(4-phenylcyclohexyl)pyrrolidine-3-carboxamide

(3S)-1-(2-methylpropyl)-5-oxo-N-(4-phenylcyclohexyl)pyrrolidine-3-carboxamide (PubChem CID 37352761) has the molecular formula C21H30N2O2 and a molecular weight of 342.48 g/mol. Its IUPAC name is (3S)-1-(2-methylpropyl)-5-oxo-N-(4-phenylcyclohexyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(2-methylpropyl)-5-oxo-N-(4-phenylcyclohexyl)pyrrolidine-3-carboxamide
PubChem CID37352761
Molecular FormulaC21H30N2O2
Molecular Weight342.48 g/mol
Exact Mass342.23
IUPAC Name(3S)-1-(2-methylpropyl)-5-oxo-N-(4-phenylcyclohexyl)pyrrolidine-3-carboxamide
SMILESCC(C)CN1C[C@@H](C(=O)NC2CCC(c3ccccc3)CC2)CC1=O
InChIInChI=1S/C21H30N2O2/c1-15(2)13-23-14-18(12-20(23)24)21(25)22-19-10-8-17(9-11-19)16-6-4-3-5-7-16/h3-7,15,17-19H,8-14H2,1-2H3,(H,22,25)/t17?,18-,19?/m0/s1
InChIKeyCSKMSRUOEWFPJQ-XBMUEBEBSA-N
XLogP3.33
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methylpropyl)-5-oxo-N-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 113182040
(3R)-N-cyclopropyl-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 51373179
1-(2-methylpropyl)-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 46109453
4-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 60809527
(3S)-1-(2-methylpropyl)-5-oxo-N-[(1-phenylcyclobutyl)methyl]pyrrolidine-3-carboxamide
CID 51936826
(3R)-1-(2-methylpropyl)-5-oxo-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]pyrrolidine-3-carboxamide
CID 95137037
(3S)-1-(2-methylpropyl)-5-oxo-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]pyrrolidine-3-carboxamide
CID 95137041
4-[[(3S)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 124690839
(3R)-N-cyclohexyl-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
CID 40515594
3-[[[1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]benzoic acid
CID 166178785
(3S)-1-(2-methylpropyl)-5-oxo-N-(3-phenylsulfanylpropyl)pyrrolidine-3-carboxamide
CID 37081636
N-(3-methylbutyl)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 47025507

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2-methylpropyl)-5-oxo-N-(4-phenylcyclohexyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-(2-methylpropyl)-5-oxo-N-(4-phenylcyclohexyl)pyrrolidine-3-carboxamide (CID 37352761) is (3S)-1-(2-methylpropyl)-5-oxo-N-(4-phenylcyclohexyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(2-methylpropyl)-5-oxo-N-(4-phenylcyclohexyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-(2-methylpropyl)-5-oxo-N-(4-phenylcyclohexyl)pyrrolidine-3-carboxamide is CC(C)CN1C[C@@H](C(=O)NC2CCC(c3ccccc3)CC2)CC1=O.
What is the InChIKey of (3S)-1-(2-methylpropyl)-5-oxo-N-(4-phenylcyclohexyl)pyrrolidine-3-carboxamide?
The InChIKey is CSKMSRUOEWFPJQ-XBMUEBEBSA-N. The full InChI is InChI=1S/C21H30N2O2/c1-15(2)13-23-14-18(12-20(23)24)21(25)22-19-10-8-17(9-11-19)16-6-4-3-5-7-16/h3-7,15,17-19H,8-14H2,1-2H3,(H,22,25)/t17?,18-,19?/m0/s1.
What are the key properties of (3S)-1-(2-methylpropyl)-5-oxo-N-(4-phenylcyclohexyl)pyrrolidine-3-carboxamide?
(3S)-1-(2-methylpropyl)-5-oxo-N-(4-phenylcyclohexyl)pyrrolidine-3-carboxamide has a molecular weight of 342.48 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2-methylpropyl)-5-oxo-N-(4-phenylcyclohexyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 37352761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).