(3R,4R)-4-benzyl-N,N-diphenylpyrrolidine-3-carboxamide

C24H24N2O — CID 70849292

IUPAC(3R,4R)-4-benzyl-N,N-diphenylpyrrolidine-3-carboxamide
SMILESO=C([C@H]1CNC[C@@H]1Cc1ccccc1)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H24N2O/c27-24(23-18-25-17-20(23)16-19-10-4-1-5-11-19)26(21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-15,20,23,25H,16-18H2/t20-,23-/m0/s1
InChIKeyQOGZHAAJDOVYJA-REWPJTCUSA-N
MW356.47 g/mol
LogP4.43
Rot. Bonds5

About (3R,4R)-4-benzyl-N,N-diphenylpyrrolidine-3-carboxamide

(3R,4R)-4-benzyl-N,N-diphenylpyrrolidine-3-carboxamide (PubChem CID 70849292) has the molecular formula C24H24N2O and a molecular weight of 356.47 g/mol. Its IUPAC name is (3R,4R)-4-benzyl-N,N-diphenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R,4R)-4-benzyl-N,N-diphenylpyrrolidine-3-carboxamide
PubChem CID70849292
Molecular FormulaC24H24N2O
Molecular Weight356.47 g/mol
Exact Mass356.19
IUPAC Name(3R,4R)-4-benzyl-N,N-diphenylpyrrolidine-3-carboxamide
SMILESO=C([C@H]1CNC[C@@H]1Cc1ccccc1)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H24N2O/c27-24(23-18-25-17-20(23)16-19-10-4-1-5-11-19)26(21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-15,20,23,25H,16-18H2/t20-,23-/m0/s1
InChIKeyQOGZHAAJDOVYJA-REWPJTCUSA-N
XLogP4.43
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(4-methylphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 84684805
(3R,4R)-4-(2-phenylethyl)pyrrolidine-3-carboxylic acid
CID 57367804
(2R)-1-[(3S,4S)-4-benzylpyrrolidin-3-yl]-2-(cyclopentylmethyl)-3-hydroxypropan-1-one
CID 141376310
(3S,4R)-4-benzyl-N,N-dimethylpyrrolidin-3-amine
CID 129386795
cis-(1R,2S)-2-benzylcyclopropane-1-carboxylic acid
CID 10487497
(3R,4S)-3-benzyl-4-methoxypyrrolidine
CID 59265809
1-[(3S,4S)-4-benzylpyrrolidin-3-yl]-N-methylmethanamine
CID 68835618
(3S,4S)-N-benzyl-N,4-dimethylpyrrolidine-3-carboxamide
CID 98541238
(3R,4R)-3-N,4-N-bis(2-phenylethyl)pyrrolidine-3,4-dicarboxamide
CID 154961382
(1R,2S,4S,5S)-2-benzyl-4,5-dibromocyclohexane-1-carboxylic acid
CID 98246158
N-[[(3R,4R)-4-benzylpyrrolidin-3-yl]methyl]-N-[(4-chlorophenyl)methyl]furan-2-carboxamide
CID 141147787
3-benzylazetidine;hydrochloride
CID 54592835

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-benzyl-N,N-diphenylpyrrolidine-3-carboxamide?
The IUPAC name of (3R,4R)-4-benzyl-N,N-diphenylpyrrolidine-3-carboxamide (CID 70849292) is (3R,4R)-4-benzyl-N,N-diphenylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3R,4R)-4-benzyl-N,N-diphenylpyrrolidine-3-carboxamide?
The canonical SMILES for (3R,4R)-4-benzyl-N,N-diphenylpyrrolidine-3-carboxamide is O=C([C@H]1CNC[C@@H]1Cc1ccccc1)N(c1ccccc1)c1ccccc1.
What is the InChIKey of (3R,4R)-4-benzyl-N,N-diphenylpyrrolidine-3-carboxamide?
The InChIKey is QOGZHAAJDOVYJA-REWPJTCUSA-N. The full InChI is InChI=1S/C24H24N2O/c27-24(23-18-25-17-20(23)16-19-10-4-1-5-11-19)26(21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-15,20,23,25H,16-18H2/t20-,23-/m0/s1.
What are the key properties of (3R,4R)-4-benzyl-N,N-diphenylpyrrolidine-3-carboxamide?
(3R,4R)-4-benzyl-N,N-diphenylpyrrolidine-3-carboxamide has a molecular weight of 356.47 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-benzyl-N,N-diphenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 70849292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).