(3R,4R)-4-benzoyl-1-benzyl-N-ethylpyrrolidine-3-carboxamide

C21H24N2O2 — CID 92592724

IUPAC(3R,4R)-4-benzoyl-1-benzyl-N-ethylpyrrolidine-3-carboxamide
SMILESCCNC(=O)[C@H]1CN(Cc2ccccc2)C[C@@H]1C(=O)c1ccccc1
InChIInChI=1S/C21H24N2O2/c1-2-22-21(25)19-15-23(13-16-9-5-3-6-10-16)14-18(19)20(24)17-11-7-4-8-12-17/h3-12,18-19H,2,13-15H2,1H3,(H,22,25)/t18-,19-/m0/s1
InChIKeyTWRAKZUKYZQQCU-OALUTQOASA-N
MW336.44 g/mol
LogP2.75
Rot. Bonds6

About (3R,4R)-4-benzoyl-1-benzyl-N-ethylpyrrolidine-3-carboxamide

(3R,4R)-4-benzoyl-1-benzyl-N-ethylpyrrolidine-3-carboxamide (PubChem CID 92592724) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is (3R,4R)-4-benzoyl-1-benzyl-N-ethylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R,4R)-4-benzoyl-1-benzyl-N-ethylpyrrolidine-3-carboxamide
PubChem CID92592724
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name(3R,4R)-4-benzoyl-1-benzyl-N-ethylpyrrolidine-3-carboxamide
SMILESCCNC(=O)[C@H]1CN(Cc2ccccc2)C[C@@H]1C(=O)c1ccccc1
InChIInChI=1S/C21H24N2O2/c1-2-22-21(25)19-15-23(13-16-9-5-3-6-10-16)14-18(19)20(24)17-11-7-4-8-12-17/h3-12,18-19H,2,13-15H2,1H3,(H,22,25)/t18-,19-/m0/s1
InChIKeyTWRAKZUKYZQQCU-OALUTQOASA-N
XLogP2.75
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3S,4S)-1-benzyl-4-methylpyrrolidin-3-yl]-phenylmethanone
CID 69456850
[(3S,5S)-5-benzoyl-1-benzyl-4-phenylpiperidin-3-yl]-phenylmethanone
CID 40951113
(3S,4S)-1-benzyl-4-(4-fluorobenzoyl)-N-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 46956891
[(3R,4R)-1-benzyl-4-phenylpyrrolidin-3-yl]-phenylmethanone
CID 125474288
1-benzyl-4-(ethylamino)pyrrolidine-3-carboxylic acid
CID 83851265
(3S,4S)-1-benzyl-4-(4-fluorobenzoyl)-N-(2-pyridin-4-ylethyl)pyrrolidine-3-carboxamide
CID 46956875
(3S,4S)-1-benzyl-4-(4-fluorobenzoyl)-N-(oxan-3-ylmethyl)pyrrolidine-3-carboxamide
CID 46968030
(3S,4S)-1-benzyl-4-(4-fluorobenzoyl)-N-(2-pyridin-2-ylethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 171667068
(3S,4S)-1-benzyl-4-(4-fluorobenzoyl)-N-(4-hydroxycyclohexyl)pyrrolidine-3-carboxamide
CID 46968037
(5-benzoyl-1-benzyl-4-phenylpiperidin-3-yl)-phenylmethanone;(5-benzoyl-1-methyl-4-phenylpiperidin-3-yl)-phenylmethanone;dimethyl 1-benzyl-4-phenylpiperidine-3,5-dicarboxylate
CID 87726084
(3S,4S)-1-benzyl-4-(4-fluorobenzoyl)-N-(2-imidazol-1-ylethyl)pyrrolidine-3-carboxamide
CID 46956887
methyl 2-(4-benzoyl-1-benzyl-5-ethylpiperidin-3-yl)acetate
CID 102081555

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-benzoyl-1-benzyl-N-ethylpyrrolidine-3-carboxamide?
The IUPAC name of (3R,4R)-4-benzoyl-1-benzyl-N-ethylpyrrolidine-3-carboxamide (CID 92592724) is (3R,4R)-4-benzoyl-1-benzyl-N-ethylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3R,4R)-4-benzoyl-1-benzyl-N-ethylpyrrolidine-3-carboxamide?
The canonical SMILES for (3R,4R)-4-benzoyl-1-benzyl-N-ethylpyrrolidine-3-carboxamide is CCNC(=O)[C@H]1CN(Cc2ccccc2)C[C@@H]1C(=O)c1ccccc1.
What is the InChIKey of (3R,4R)-4-benzoyl-1-benzyl-N-ethylpyrrolidine-3-carboxamide?
The InChIKey is TWRAKZUKYZQQCU-OALUTQOASA-N. The full InChI is InChI=1S/C21H24N2O2/c1-2-22-21(25)19-15-23(13-16-9-5-3-6-10-16)14-18(19)20(24)17-11-7-4-8-12-17/h3-12,18-19H,2,13-15H2,1H3,(H,22,25)/t18-,19-/m0/s1.
What are the key properties of (3R,4R)-4-benzoyl-1-benzyl-N-ethylpyrrolidine-3-carboxamide?
(3R,4R)-4-benzoyl-1-benzyl-N-ethylpyrrolidine-3-carboxamide has a molecular weight of 336.44 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-benzoyl-1-benzyl-N-ethylpyrrolidine-3-carboxamide is sourced from PubChem (CID 92592724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).