3-(2-methylphenyl)-N-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]propanamide

C21H26N2O — CID 99883089

IUPAC3-(2-methylphenyl)-N-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]propanamide
SMILESCc1ccccc1CCC(=O)NC[C@@H]1CCCN1c1ccccc1
InChIInChI=1S/C21H26N2O/c1-17-8-5-6-9-18(17)13-14-21(24)22-16-20-12-7-15-23(20)19-10-3-2-4-11-19/h2-6,8-11,20H,7,12-16H2,1H3,(H,22,24)/t20-/m0/s1
InChIKeyFFRCEGJAHZJBCC-FQEVSTJZSA-N
MW322.45 g/mol
LogP3.71
Rot. Bonds6

About 3-(2-methylphenyl)-N-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]propanamide

3-(2-methylphenyl)-N-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]propanamide (PubChem CID 99883089) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is 3-(2-methylphenyl)-N-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]propanamide.

Molecular Properties

Compound Name3-(2-methylphenyl)-N-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]propanamide
PubChem CID99883089
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC Name3-(2-methylphenyl)-N-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]propanamide
SMILESCc1ccccc1CCC(=O)NC[C@@H]1CCCN1c1ccccc1
InChIInChI=1S/C21H26N2O/c1-17-8-5-6-9-18(17)13-14-21(24)22-16-20-12-7-15-23(20)19-10-3-2-4-11-19/h2-6,8-11,20H,7,12-16H2,1H3,(H,22,24)/t20-/m0/s1
InChIKeyFFRCEGJAHZJBCC-FQEVSTJZSA-N
XLogP3.71
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-bromophenyl)-N-[(1-phenylpyrrolidin-2-yl)methyl]propanamide
CID 72719282
N-[(1-phenylpyrrolidin-2-yl)methyl]-3-(2,3,4-trimethoxyphenyl)propanamide
CID 90619835
2-ethoxy-N-[[(2R)-1-phenylpyrrolidin-2-yl]methyl]acetamide
CID 99903447
2-(2-chlorophenyl)-N-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]acetamide
CID 99883040
2-naphthalen-1-yl-N-[(1-phenylpyrrolidin-2-yl)methyl]acetamide
CID 90619918
2-cyclopentyl-N-[(1-phenylpyrrolidin-2-yl)methyl]acetamide
CID 90619739
3-(2-methoxynaphthalen-1-yl)-N-[[(2R)-1-phenylpyrrolidin-2-yl]methyl]propanamide
CID 99883088
N-[(1-acetylpiperidin-4-yl)methyl]-3-(2-methylphenyl)propanamide
CID 110736193
2-(2-methoxyphenoxy)-N-[[(2R)-1-phenylpyrrolidin-2-yl]methyl]acetamide
CID 99883057
N-[[(2R)-1-phenylpyrrolidin-2-yl]methyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide
CID 99883074
2-(3-methylphenoxy)-N-[(1-phenylpyrrolidin-2-yl)methyl]acetamide
CID 90619766
N-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]cyclobutanecarboxamide
CID 99903438

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylphenyl)-N-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]propanamide?
The IUPAC name of 3-(2-methylphenyl)-N-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]propanamide (CID 99883089) is 3-(2-methylphenyl)-N-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]propanamide.
What is the SMILES notation for 3-(2-methylphenyl)-N-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]propanamide?
The canonical SMILES for 3-(2-methylphenyl)-N-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]propanamide is Cc1ccccc1CCC(=O)NC[C@@H]1CCCN1c1ccccc1.
What is the InChIKey of 3-(2-methylphenyl)-N-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]propanamide?
The InChIKey is FFRCEGJAHZJBCC-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H26N2O/c1-17-8-5-6-9-18(17)13-14-21(24)22-16-20-12-7-15-23(20)19-10-3-2-4-11-19/h2-6,8-11,20H,7,12-16H2,1H3,(H,22,24)/t20-/m0/s1.
What are the key properties of 3-(2-methylphenyl)-N-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]propanamide?
3-(2-methylphenyl)-N-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]propanamide has a molecular weight of 322.45 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylphenyl)-N-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]propanamide is sourced from PubChem (CID 99883089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).