(3R)-N,N-dimethyl-3-[(4-phenylphenyl)methyl]pyrrolidine-3-carboxamide

C20H24N2O — CID 95804070

IUPAC(3R)-N,N-dimethyl-3-[(4-phenylphenyl)methyl]pyrrolidine-3-carboxamide
SMILESCN(C)C(=O)[C@]1(Cc2ccc(-c3ccccc3)cc2)CCNC1
InChIInChI=1S/C20H24N2O/c1-22(2)19(23)20(12-13-21-15-20)14-16-8-10-18(11-9-16)17-6-4-3-5-7-17/h3-11,21H,12-15H2,1-2H3/t20-/m0/s1
InChIKeyIWMNZSQNIHSCAW-FQEVSTJZSA-N
MW308.43 g/mol
LogP2.96
Rot. Bonds4

About (3R)-N,N-dimethyl-3-[(4-phenylphenyl)methyl]pyrrolidine-3-carboxamide

(3R)-N,N-dimethyl-3-[(4-phenylphenyl)methyl]pyrrolidine-3-carboxamide (PubChem CID 95804070) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is (3R)-N,N-dimethyl-3-[(4-phenylphenyl)methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N,N-dimethyl-3-[(4-phenylphenyl)methyl]pyrrolidine-3-carboxamide
PubChem CID95804070
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name(3R)-N,N-dimethyl-3-[(4-phenylphenyl)methyl]pyrrolidine-3-carboxamide
SMILESCN(C)C(=O)[C@]1(Cc2ccc(-c3ccccc3)cc2)CCNC1
InChIInChI=1S/C20H24N2O/c1-22(2)19(23)20(12-13-21-15-20)14-16-8-10-18(11-9-16)17-6-4-3-5-7-17/h3-11,21H,12-15H2,1-2H3/t20-/m0/s1
InChIKeyIWMNZSQNIHSCAW-FQEVSTJZSA-N
XLogP2.96
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-benzyl-N,N-dimethylpiperidine-3-carboxamide
CID 86184563
(3S)-N,N-dimethyl-3-[[4-(4-methylphenyl)phenyl]methyl]piperidine-3-carboxamide
CID 95851565
N,N-dimethyl-1-(3-methylbutanoyl)-4-[(4-phenylphenyl)methyl]piperidine-4-carboxamide
CID 95805699
(3R)-N,N-dimethyl-3-[(4-phenylphenyl)methyl]-1-propanoylpiperidine-3-carboxamide
CID 92585101
(3R)-1-(cyclopropanecarbonyl)-N,N-dimethyl-3-[(4-phenylphenyl)methyl]piperidine-3-carboxamide
CID 92604751
1-(cyclopropanecarbonyl)-N,N-dimethyl-3-[(4-phenylphenyl)methyl]piperidine-3-carboxamide
CID 110232463
tert-butyl 3-benzylpyrrolidine-3-carboxylate
CID 156631335
N,N-dimethyl-4-[(4-phenylphenyl)methyl]-1-(2-pyridin-2-ylacetyl)piperidine-4-carboxamide
CID 155982870
4-benzylpiperidine-4-carboxylic acid
CID 18365178
3-ethyl-N-methyl-N-phenylpyrrolidine-3-carboxamide
CID 63140580
3-[(3-methylphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 63141083
(3R)-1-[(2-ethylpyrimidin-5-yl)methyl]-N,N-dimethyl-3-[(4-phenylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92589293

Frequently Asked Questions

What is the IUPAC name of (3R)-N,N-dimethyl-3-[(4-phenylphenyl)methyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N,N-dimethyl-3-[(4-phenylphenyl)methyl]pyrrolidine-3-carboxamide (CID 95804070) is (3R)-N,N-dimethyl-3-[(4-phenylphenyl)methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N,N-dimethyl-3-[(4-phenylphenyl)methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N,N-dimethyl-3-[(4-phenylphenyl)methyl]pyrrolidine-3-carboxamide is CN(C)C(=O)[C@]1(Cc2ccc(-c3ccccc3)cc2)CCNC1.
What is the InChIKey of (3R)-N,N-dimethyl-3-[(4-phenylphenyl)methyl]pyrrolidine-3-carboxamide?
The InChIKey is IWMNZSQNIHSCAW-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H24N2O/c1-22(2)19(23)20(12-13-21-15-20)14-16-8-10-18(11-9-16)17-6-4-3-5-7-17/h3-11,21H,12-15H2,1-2H3/t20-/m0/s1.
What are the key properties of (3R)-N,N-dimethyl-3-[(4-phenylphenyl)methyl]pyrrolidine-3-carboxamide?
(3R)-N,N-dimethyl-3-[(4-phenylphenyl)methyl]pyrrolidine-3-carboxamide has a molecular weight of 308.43 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N,N-dimethyl-3-[(4-phenylphenyl)methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 95804070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).