(2S)-N-benzyl-1-[2-(4-tert-butylcyclohexyl)-2-oxoethyl]pyrrolidine-2-carboxamide

C24H36N2O2 — CID 67620978

IUPAC(2S)-N-benzyl-1-[2-(4-tert-butylcyclohexyl)-2-oxoethyl]pyrrolidine-2-carboxamide
SMILESCC(C)(C)C1CCC(C(=O)CN2CCC[C@H]2C(=O)NCc2ccccc2)CC1
InChIInChI=1S/C24H36N2O2/c1-24(2,3)20-13-11-19(12-14-20)22(27)17-26-15-7-10-21(26)23(28)25-16-18-8-5-4-6-9-18/h4-6,8-9,19-21H,7,10-17H2,1-3H3,(H,25,28)/t19?,20?,21-/m0/s1
InChIKeyXLSSYWRKGVMDJT-CBNMVNINSA-N
MW384.56 g/mol
LogP4.19
Rot. Bonds6

About (2S)-N-benzyl-1-[2-(4-tert-butylcyclohexyl)-2-oxoethyl]pyrrolidine-2-carboxamide

(2S)-N-benzyl-1-[2-(4-tert-butylcyclohexyl)-2-oxoethyl]pyrrolidine-2-carboxamide (PubChem CID 67620978) has the molecular formula C24H36N2O2 and a molecular weight of 384.56 g/mol. Its IUPAC name is (2S)-N-benzyl-1-[2-(4-tert-butylcyclohexyl)-2-oxoethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-benzyl-1-[2-(4-tert-butylcyclohexyl)-2-oxoethyl]pyrrolidine-2-carboxamide
PubChem CID67620978
Molecular FormulaC24H36N2O2
Molecular Weight384.56 g/mol
Exact Mass384.28
IUPAC Name(2S)-N-benzyl-1-[2-(4-tert-butylcyclohexyl)-2-oxoethyl]pyrrolidine-2-carboxamide
SMILESCC(C)(C)C1CCC(C(=O)CN2CCC[C@H]2C(=O)NCc2ccccc2)CC1
InChIInChI=1S/C24H36N2O2/c1-24(2,3)20-13-11-19(12-14-20)22(27)17-26-15-7-10-21(26)23(28)25-16-18-8-5-4-6-9-18/h4-6,8-9,19-21H,7,10-17H2,1-3H3,(H,25,28)/t19?,20?,21-/m0/s1
InChIKeyXLSSYWRKGVMDJT-CBNMVNINSA-N
XLogP4.19
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.56
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-benzyl-1-[2-(4-methoxyphenyl)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 67621202
(2S)-N-benzyl-1-[2-(1-methylcyclohexyl)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 67621172
4-[[[(2R)-1-benzylpyrrolidine-2-carbonyl]amino]methyl]benzoic acid
CID 124703936
(2R)-1-[2-(benzylamino)-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 75482539
(2S)-1-(3-amino-2-hydroxy-4-phenylbutyl)-N-benzylpyrrolidine-2-carboxamide
CID 70047046
N-benzyl-1-[(2,3-dichlorophenyl)methyl]pyrrolidine-2-carboxamide
CID 102502878
(2S)-N-benzyl-1-[2-oxo-2-(2,3,4-trimethoxyphenyl)ethyl]pyrrolidine-2-carboxamide
CID 67619248
(2S)-N-benzyl-1-[2-oxo-2-(3-phenoxyphenyl)ethyl]pyrrolidine-2-carboxamide
CID 67619591
1-benzyl-N-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide
CID 51094960
ethyl (2S)-2-(benzylcarbamoyl)pyrrolidine-1-carboxylate
CID 110286155
N-benzyl-1-(3-methylbutanoyl)pyrrolidine-2-carboxamide
CID 170418185
(2S)-1-N-benzyl-2-N-[(4-methylphenyl)methyl]pyrrolidine-1,2-dicarboxamide
CID 1468781

Frequently Asked Questions

What is the IUPAC name of (2S)-N-benzyl-1-[2-(4-tert-butylcyclohexyl)-2-oxoethyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-benzyl-1-[2-(4-tert-butylcyclohexyl)-2-oxoethyl]pyrrolidine-2-carboxamide (CID 67620978) is (2S)-N-benzyl-1-[2-(4-tert-butylcyclohexyl)-2-oxoethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-benzyl-1-[2-(4-tert-butylcyclohexyl)-2-oxoethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-benzyl-1-[2-(4-tert-butylcyclohexyl)-2-oxoethyl]pyrrolidine-2-carboxamide is CC(C)(C)C1CCC(C(=O)CN2CCC[C@H]2C(=O)NCc2ccccc2)CC1.
What is the InChIKey of (2S)-N-benzyl-1-[2-(4-tert-butylcyclohexyl)-2-oxoethyl]pyrrolidine-2-carboxamide?
The InChIKey is XLSSYWRKGVMDJT-CBNMVNINSA-N. The full InChI is InChI=1S/C24H36N2O2/c1-24(2,3)20-13-11-19(12-14-20)22(27)17-26-15-7-10-21(26)23(28)25-16-18-8-5-4-6-9-18/h4-6,8-9,19-21H,7,10-17H2,1-3H3,(H,25,28)/t19?,20?,21-/m0/s1.
What are the key properties of (2S)-N-benzyl-1-[2-(4-tert-butylcyclohexyl)-2-oxoethyl]pyrrolidine-2-carboxamide?
(2S)-N-benzyl-1-[2-(4-tert-butylcyclohexyl)-2-oxoethyl]pyrrolidine-2-carboxamide has a molecular weight of 384.56 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-benzyl-1-[2-(4-tert-butylcyclohexyl)-2-oxoethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 67620978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).