N-(1,2-diphenylethyl)-3-methylpyrrolidine-1-carboxamide

C20H24N2O — CID 86880551

IUPACN-(1,2-diphenylethyl)-3-methylpyrrolidine-1-carboxamide
SMILESCC1CCN(C(=O)NC(Cc2ccccc2)c2ccccc2)C1
InChIInChI=1S/C20H24N2O/c1-16-12-13-22(15-16)20(23)21-19(18-10-6-3-7-11-18)14-17-8-4-2-5-9-17/h2-11,16,19H,12-15H2,1H3,(H,21,23)
InChIKeyWUKKWWXADWMVEI-UHFFFAOYSA-N
MW308.43 g/mol
LogP4.02
Rot. Bonds4

About N-(1,2-diphenylethyl)-3-methylpyrrolidine-1-carboxamide

N-(1,2-diphenylethyl)-3-methylpyrrolidine-1-carboxamide (PubChem CID 86880551) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is N-(1,2-diphenylethyl)-3-methylpyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(1,2-diphenylethyl)-3-methylpyrrolidine-1-carboxamide
PubChem CID86880551
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC NameN-(1,2-diphenylethyl)-3-methylpyrrolidine-1-carboxamide
SMILESCC1CCN(C(=O)NC(Cc2ccccc2)c2ccccc2)C1
InChIInChI=1S/C20H24N2O/c1-16-12-13-22(15-16)20(23)21-19(18-10-6-3-7-11-18)14-17-8-4-2-5-9-17/h2-11,16,19H,12-15H2,1H3,(H,21,23)
InChIKeyWUKKWWXADWMVEI-UHFFFAOYSA-N
XLogP4.02
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[(3-methylpyrrolidine-1-carbonyl)amino]-5-phenylpentanoic acid
CID 120728792
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-4-methylpiperidine-1-carboxamide
CID 107860839
N-(1,2-diphenylethyl)-4-(2-methoxyacetyl)piperazine-1-carboxamide
CID 87000159
N-(1,2-diphenylethyl)-1,4-thiazepane-4-carboxamide
CID 87000158
N-[1-(dimethylamino)-3-phenylpropan-2-yl]-3-methylpiperidine-1-carboxamide
CID 60547159
N-[cyclopentyl(phenyl)methyl]-3-methylpyrrolidine-1-carboxamide
CID 86880652
1-[[1-(4-methoxyphenyl)-2-phenylethyl]carbamoyl]piperidine-3-carboxylic acid
CID 122014818
4-[(4-methylazepane-1-carbonyl)amino]-5-phenylpentanoic acid
CID 122027118
(4S)-N-[(1S)-3-(dimethylamino)-3-oxo-1-phenylpropyl]-4-methylazepane-1-carboxamide
CID 97023611
2-methyl-1-(3-methylpiperidin-1-yl)-3-phenylpropan-1-one
CID 110355924
2-amino-1-(3-methylpyrrolidin-1-yl)-3-phenylpropan-1-one;hydrochloride
CID 119303310
benzyl (2S)-2-[(4-methylpiperidine-1-carbonyl)amino]-3-phenylpropanoate
CID 54377577

Frequently Asked Questions

What is the IUPAC name of N-(1,2-diphenylethyl)-3-methylpyrrolidine-1-carboxamide?
The IUPAC name of N-(1,2-diphenylethyl)-3-methylpyrrolidine-1-carboxamide (CID 86880551) is N-(1,2-diphenylethyl)-3-methylpyrrolidine-1-carboxamide.
What is the SMILES notation for N-(1,2-diphenylethyl)-3-methylpyrrolidine-1-carboxamide?
The canonical SMILES for N-(1,2-diphenylethyl)-3-methylpyrrolidine-1-carboxamide is CC1CCN(C(=O)NC(Cc2ccccc2)c2ccccc2)C1.
What is the InChIKey of N-(1,2-diphenylethyl)-3-methylpyrrolidine-1-carboxamide?
The InChIKey is WUKKWWXADWMVEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O/c1-16-12-13-22(15-16)20(23)21-19(18-10-6-3-7-11-18)14-17-8-4-2-5-9-17/h2-11,16,19H,12-15H2,1H3,(H,21,23).
What are the key properties of N-(1,2-diphenylethyl)-3-methylpyrrolidine-1-carboxamide?
N-(1,2-diphenylethyl)-3-methylpyrrolidine-1-carboxamide has a molecular weight of 308.43 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-diphenylethyl)-3-methylpyrrolidine-1-carboxamide is sourced from PubChem (CID 86880551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).