(2S)-N-benzhydrylpyrrolidine-2-carboxamide

C18H20N2O — CID 10663256

IUPAC(2S)-N-benzhydrylpyrrolidine-2-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccccc1)[C@@H]1CCCN1
InChIInChI=1S/C18H20N2O/c21-18(16-12-7-13-19-16)20-17(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11,16-17,19H,7,12-13H2,(H,20,21)/t16-/m0/s1
InChIKeyZRSXMSIARARMQD-INIZCTEOSA-N
MW280.37 g/mol
LogP2.64
Rot. Bonds4

About (2S)-N-benzhydrylpyrrolidine-2-carboxamide

(2S)-N-benzhydrylpyrrolidine-2-carboxamide (PubChem CID 10663256) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is (2S)-N-benzhydrylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-benzhydrylpyrrolidine-2-carboxamide
PubChem CID10663256
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name(2S)-N-benzhydrylpyrrolidine-2-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccccc1)[C@@H]1CCCN1
InChIInChI=1S/C18H20N2O/c21-18(16-12-7-13-19-16)20-17(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11,16-17,19H,7,12-13H2,(H,20,21)/t16-/m0/s1
InChIKeyZRSXMSIARARMQD-INIZCTEOSA-N
XLogP2.64
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-[(S)-hydroxy(phenyl)methyl]pyrrolidine-2-carboxamide
CID 101392822
N-(1-phenylethyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119261657
N-[(1R)-2-hydroxy-1-phenylethyl]pyrrolidine-2-carboxamide
CID 107863240
N-[(1S)-1-phenylethyl]piperidine-2-carboxamide
CID 15445575
N-[cyclopropyl(phenyl)methyl]piperidine-2-carboxamide
CID 43709653
N-[(1R)-1-phenylethyl]azepane-2-carboxamide
CID 78996687
N-[cyclopropyl(phenyl)methyl]azepane-2-carboxamide
CID 64564390
2-phenyl-3-[[(2R)-pyrrolidine-2-carbonyl]amino]propanoic acid
CID 104901121
(2R)-N-(1-phenylbutyl)piperidine-2-carboxamide
CID 104913042
(2S)-N-(1-phenylbutyl)piperidine-2-carboxamide
CID 104913043
(2S)-N-[(1R,2R)-2-[(4-methylbenzoyl)amino]-1,2-diphenylethyl]pyrrolidine-2-carboxamide
CID 102381772
(2S)-N-[(1S)-2-[(2-amino-2-oxoethyl)amino]-2-oxo-1-phenylethyl]pyrrolidine-2-carboxamide
CID 14654694

Frequently Asked Questions

What is the IUPAC name of (2S)-N-benzhydrylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-benzhydrylpyrrolidine-2-carboxamide (CID 10663256) is (2S)-N-benzhydrylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-benzhydrylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-benzhydrylpyrrolidine-2-carboxamide is O=C(NC(c1ccccc1)c1ccccc1)[C@@H]1CCCN1.
What is the InChIKey of (2S)-N-benzhydrylpyrrolidine-2-carboxamide?
The InChIKey is ZRSXMSIARARMQD-INIZCTEOSA-N. The full InChI is InChI=1S/C18H20N2O/c21-18(16-12-7-13-19-16)20-17(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11,16-17,19H,7,12-13H2,(H,20,21)/t16-/m0/s1.
What are the key properties of (2S)-N-benzhydrylpyrrolidine-2-carboxamide?
(2S)-N-benzhydrylpyrrolidine-2-carboxamide has a molecular weight of 280.37 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-benzhydrylpyrrolidine-2-carboxamide is sourced from PubChem (CID 10663256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).