(3R,4R)-1-methyl-N,4-diphenylpyrrolidine-3-carboxamide

C18H20N2O — CID 100894597

IUPAC(3R,4R)-1-methyl-N,4-diphenylpyrrolidine-3-carboxamide
SMILESCN1C[C@H](C(=O)Nc2ccccc2)[C@H](c2ccccc2)C1
InChIInChI=1S/C18H20N2O/c1-20-12-16(14-8-4-2-5-9-14)17(13-20)18(21)19-15-10-6-3-7-11-15/h2-11,16-17H,12-13H2,1H3,(H,19,21)/t16-,17-/m0/s1
InChIKeyZUTKUMRHLZENHR-IRXDYDNUSA-N
MW280.37 g/mol
LogP2.97
Rot. Bonds3

About (3R,4R)-1-methyl-N,4-diphenylpyrrolidine-3-carboxamide

(3R,4R)-1-methyl-N,4-diphenylpyrrolidine-3-carboxamide (PubChem CID 100894597) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is (3R,4R)-1-methyl-N,4-diphenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R,4R)-1-methyl-N,4-diphenylpyrrolidine-3-carboxamide
PubChem CID100894597
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name(3R,4R)-1-methyl-N,4-diphenylpyrrolidine-3-carboxamide
SMILESCN1C[C@H](C(=O)Nc2ccccc2)[C@H](c2ccccc2)C1
InChIInChI=1S/C18H20N2O/c1-20-12-16(14-8-4-2-5-9-14)17(13-20)18(21)19-15-10-6-3-7-11-15/h2-11,16-17H,12-13H2,1H3,(H,19,21)/t16-,17-/m0/s1
InChIKeyZUTKUMRHLZENHR-IRXDYDNUSA-N
XLogP2.97
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-1-methyl-4-phenylpyrrolidine-3-carboxamide
CID 102551990
(3S,4S)-N-cyclopropyl-1-methyl-4-phenylpyrrolidine-3-carboxamide
CID 100816182
(3R,4R)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methyl-4-phenylpyrrolidine-3-carboxamide
CID 124857187
(3R,4S)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-methyl-N-phenylpyrrolidine-3-carboxamide
CID 122386187
(3R,4S)-1-methyl-N-[(4-methylphenyl)methyl]-4-phenylpyrrolidine-3-carboxamide
CID 100816285
cis-(1R,2S)-N-(4-acetamidophenyl)-2-phenylcyclopropane-1-carboxamide
CID 7071046
cis-(1R,2S)-2-phenyl-N-[4-[4-[[(1R,2S)-2-phenylcyclopropanecarbonyl]amino]phenyl]phenyl]cyclopropane-1-carboxamide
CID 93010782
(1-methyl-4-phenylpyrrolidin-3-yl)-(4-methylpiperazin-1-yl)methanone
CID 166828290
N-(4-acetylphenyl)-2-phenylcyclopropane-1-carboxamide
CID 4205798
(8R)-2-methyl-N,5-diphenyl-3,4,6,7,8,8a-hexahydro-1H-isoquinoline-8-carboxamide
CID 23650808
2-N-phenyl-1-N-(2-propan-2-ylphenyl)cyclopropane-1,2-dicarboxamide
CID 109140809
N-(3-hydroxyphenyl)-2-phenylcyclopropane-1-carboxamide
CID 81445768

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-methyl-N,4-diphenylpyrrolidine-3-carboxamide?
The IUPAC name of (3R,4R)-1-methyl-N,4-diphenylpyrrolidine-3-carboxamide (CID 100894597) is (3R,4R)-1-methyl-N,4-diphenylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3R,4R)-1-methyl-N,4-diphenylpyrrolidine-3-carboxamide?
The canonical SMILES for (3R,4R)-1-methyl-N,4-diphenylpyrrolidine-3-carboxamide is CN1C[C@H](C(=O)Nc2ccccc2)[C@H](c2ccccc2)C1.
What is the InChIKey of (3R,4R)-1-methyl-N,4-diphenylpyrrolidine-3-carboxamide?
The InChIKey is ZUTKUMRHLZENHR-IRXDYDNUSA-N. The full InChI is InChI=1S/C18H20N2O/c1-20-12-16(14-8-4-2-5-9-14)17(13-20)18(21)19-15-10-6-3-7-11-15/h2-11,16-17H,12-13H2,1H3,(H,19,21)/t16-,17-/m0/s1.
What are the key properties of (3R,4R)-1-methyl-N,4-diphenylpyrrolidine-3-carboxamide?
(3R,4R)-1-methyl-N,4-diphenylpyrrolidine-3-carboxamide has a molecular weight of 280.37 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-methyl-N,4-diphenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 100894597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).