(3S,4R)-1-benzyl-4-phenylpyrrolidine-3-carboxamide

C18H20N2O — CID 91662836

IUPAC(3S,4R)-1-benzyl-4-phenylpyrrolidine-3-carboxamide
SMILESNC(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccccc1
InChIInChI=1S/C18H20N2O/c19-18(21)17-13-20(11-14-7-3-1-4-8-14)12-16(17)15-9-5-2-6-10-15/h1-10,16-17H,11-13H2,(H2,19,21)/t16-,17+/m0/s1
InChIKeyQOCQBJHQQKBBMA-DLBZAZTESA-N
MW280.37 g/mol
LogP2.39
Rot. Bonds4

About (3S,4R)-1-benzyl-4-phenylpyrrolidine-3-carboxamide

(3S,4R)-1-benzyl-4-phenylpyrrolidine-3-carboxamide (PubChem CID 91662836) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is (3S,4R)-1-benzyl-4-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S,4R)-1-benzyl-4-phenylpyrrolidine-3-carboxamide
PubChem CID91662836
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name(3S,4R)-1-benzyl-4-phenylpyrrolidine-3-carboxamide
SMILESNC(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccccc1
InChIInChI=1S/C18H20N2O/c19-18(21)17-13-20(11-14-7-3-1-4-8-14)12-16(17)15-9-5-2-6-10-15/h1-10,16-17H,11-13H2,(H2,19,21)/t16-,17+/m0/s1
InChIKeyQOCQBJHQQKBBMA-DLBZAZTESA-N
XLogP2.39
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S,4R)-1-benzyl-4-phenylpyrrolidine-3-carboxylic acid
CID 12922299
(3S,4R)-1-benzyl-4-phenylpyrrolidine-3-carboxylic acid;ethane;iodoethane
CID 123682469
[(3R,4R)-1-benzyl-4-phenylpyrrolidin-3-yl]-phenylmethanone
CID 125474288
ethyl (3R,4S)-1-benzyl-4-phenylpyrrolidine-3-carboxylate
CID 12922289
1-benzyl-3,4-diphenylpyrrolidine
CID 5136126
1-benzyl-4-phenylpyrrolidin-3-ol
CID 12044053
(3S,4S)-1-benzyl-4-(4-methylphenyl)pyrrolidine-3-carboxylic acid
CID 124708767
(3R,4S)-1-[(4-methyl-3-nitrophenyl)methyl]-4-phenylpyrrolidine-3-carboxamide
CID 154764645
1-benzyl-3-phenylpiperidine-4-carboxylic acid
CID 3345807
1-benzyl-4-(4-fluorophenyl)pyrrolidine-3-carboxylic acid;hydrochloride
CID 73012385
1-benzyl-4-(4-tert-butylphenyl)pyrrolidine-3-carboxylic acid
CID 75217589
(3R,4S)-1-benzyl-4-(3-chlorophenyl)pyrrolidine-3-carboxylic acid
CID 46839560

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-1-benzyl-4-phenylpyrrolidine-3-carboxamide?
The IUPAC name of (3S,4R)-1-benzyl-4-phenylpyrrolidine-3-carboxamide (CID 91662836) is (3S,4R)-1-benzyl-4-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3S,4R)-1-benzyl-4-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for (3S,4R)-1-benzyl-4-phenylpyrrolidine-3-carboxamide is NC(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccccc1.
What is the InChIKey of (3S,4R)-1-benzyl-4-phenylpyrrolidine-3-carboxamide?
The InChIKey is QOCQBJHQQKBBMA-DLBZAZTESA-N. The full InChI is InChI=1S/C18H20N2O/c19-18(21)17-13-20(11-14-7-3-1-4-8-14)12-16(17)15-9-5-2-6-10-15/h1-10,16-17H,11-13H2,(H2,19,21)/t16-,17+/m0/s1.
What are the key properties of (3S,4R)-1-benzyl-4-phenylpyrrolidine-3-carboxamide?
(3S,4R)-1-benzyl-4-phenylpyrrolidine-3-carboxamide has a molecular weight of 280.37 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-1-benzyl-4-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 91662836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).