(3R,4S)-1-methyl-N-[(4-methylphenyl)methyl]-4-phenylpyrrolidine-3-carboxamide

C20H24N2O — CID 100816285

IUPAC(3R,4S)-1-methyl-N-[(4-methylphenyl)methyl]-4-phenylpyrrolidine-3-carboxamide
SMILESCc1ccc(CNC(=O)[C@H]2CN(C)C[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C20H24N2O/c1-15-8-10-16(11-9-15)12-21-20(23)19-14-22(2)13-18(19)17-6-4-3-5-7-17/h3-11,18-19H,12-14H2,1-2H3,(H,21,23)/t18-,19+/m1/s1
InChIKeyPHDASTMLKJHLPW-MOPGFXCFSA-N
MW308.43 g/mol
LogP2.96
Rot. Bonds4

About (3R,4S)-1-methyl-N-[(4-methylphenyl)methyl]-4-phenylpyrrolidine-3-carboxamide

(3R,4S)-1-methyl-N-[(4-methylphenyl)methyl]-4-phenylpyrrolidine-3-carboxamide (PubChem CID 100816285) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is (3R,4S)-1-methyl-N-[(4-methylphenyl)methyl]-4-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R,4S)-1-methyl-N-[(4-methylphenyl)methyl]-4-phenylpyrrolidine-3-carboxamide
PubChem CID100816285
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name(3R,4S)-1-methyl-N-[(4-methylphenyl)methyl]-4-phenylpyrrolidine-3-carboxamide
SMILESCc1ccc(CNC(=O)[C@H]2CN(C)C[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C20H24N2O/c1-15-8-10-16(11-9-15)12-21-20(23)19-14-22(2)13-18(19)17-6-4-3-5-7-17/h3-11,18-19H,12-14H2,1-2H3,(H,21,23)/t18-,19+/m1/s1
InChIKeyPHDASTMLKJHLPW-MOPGFXCFSA-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

(3S,4R)-N-[(4-fluorophenyl)methyl]-1-(4-methylbenzoyl)-4-phenylpyrrolidine-3-carboxamide
CID 93148505
(3R,4R)-1-methyl-N,4-diphenylpyrrolidine-3-carboxamide
CID 100894597
(3S,4R)-1-methyl-4-(4-methylphenyl)pyrrolidine-3-carboxylic acid
CID 124669579
N-cyclopropyl-1-methyl-4-phenylpyrrolidine-3-carboxamide
CID 102551990
(3S,4S)-N-cyclopropyl-1-methyl-4-phenylpyrrolidine-3-carboxamide
CID 100816182
(3R,4S)-4-[4-(benzamidomethyl)phenyl]-N-[2-(4-methoxyphenyl)ethyl]-1-methylpyrrolidine-3-carboxamide
CID 124990587
2-benzyl-N-[(4-methylphenyl)methyl]cyclohexane-1-carboxamide
CID 161394271
trans-(1S,2S)-N-[(4-chlorophenyl)methyl]-2-phenylcyclopropane-1-carboxamide
CID 887980
1-N-(2-chlorophenyl)-2-N-[(4-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109135516
(3S,4S)-4-[4-[(cyclopropanecarbonylamino)methyl]phenyl]-N-[2-(4-methoxyphenyl)ethyl]-1-methylpyrrolidine-3-carboxamide
CID 125022795
(3R,4S)-1-(ethylcarbamothioyl)-N-[(4-fluorophenyl)methyl]-4-phenylpyrrolidine-3-carboxamide
CID 93149364
(3S,4S)-1-(cyclopropanecarbonyl)-N-[(4-fluorophenyl)methyl]-4-phenylpyrrolidine-3-carboxamide
CID 93148511

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-1-methyl-N-[(4-methylphenyl)methyl]-4-phenylpyrrolidine-3-carboxamide?
The IUPAC name of (3R,4S)-1-methyl-N-[(4-methylphenyl)methyl]-4-phenylpyrrolidine-3-carboxamide (CID 100816285) is (3R,4S)-1-methyl-N-[(4-methylphenyl)methyl]-4-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3R,4S)-1-methyl-N-[(4-methylphenyl)methyl]-4-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for (3R,4S)-1-methyl-N-[(4-methylphenyl)methyl]-4-phenylpyrrolidine-3-carboxamide is Cc1ccc(CNC(=O)[C@H]2CN(C)C[C@@H]2c2ccccc2)cc1.
What is the InChIKey of (3R,4S)-1-methyl-N-[(4-methylphenyl)methyl]-4-phenylpyrrolidine-3-carboxamide?
The InChIKey is PHDASTMLKJHLPW-MOPGFXCFSA-N. The full InChI is InChI=1S/C20H24N2O/c1-15-8-10-16(11-9-15)12-21-20(23)19-14-22(2)13-18(19)17-6-4-3-5-7-17/h3-11,18-19H,12-14H2,1-2H3,(H,21,23)/t18-,19+/m1/s1.
What are the key properties of (3R,4S)-1-methyl-N-[(4-methylphenyl)methyl]-4-phenylpyrrolidine-3-carboxamide?
(3R,4S)-1-methyl-N-[(4-methylphenyl)methyl]-4-phenylpyrrolidine-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,4S)-1-methyl-N-[(4-methylphenyl)methyl]-4-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 100816285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).