2-methyl-N-[(2-phenylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]propanamide

C21H26N2O — CID 11529874

IUPAC2-methyl-N-[(2-phenylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]propanamide
SMILESCC(C)C(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1
InChIInChI=1S/C21H26N2O/c1-16(2)21(24)23(19-12-13-22-14-19)15-18-10-6-7-11-20(18)17-8-4-3-5-9-17/h3-11,16,19,22H,12-15H2,1-2H3/t19-/m0/s1
InChIKeyUSUPIRYFHGUVOR-IBGZPJMESA-N
MW322.45 g/mol
LogP3.70
Rot. Bonds5

About 2-methyl-N-[(2-phenylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]propanamide

2-methyl-N-[(2-phenylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]propanamide (PubChem CID 11529874) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is 2-methyl-N-[(2-phenylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[(2-phenylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]propanamide
PubChem CID11529874
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC Name2-methyl-N-[(2-phenylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]propanamide
SMILESCC(C)C(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1
InChIInChI=1S/C21H26N2O/c1-16(2)21(24)23(19-12-13-22-14-19)15-18-10-6-7-11-20(18)17-8-4-3-5-9-17/h3-11,16,19,22H,12-15H2,1-2H3/t19-/m0/s1
InChIKeyUSUPIRYFHGUVOR-IBGZPJMESA-N
XLogP3.70
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2-phenylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]propanamide?
The IUPAC name of 2-methyl-N-[(2-phenylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]propanamide (CID 11529874) is 2-methyl-N-[(2-phenylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]propanamide.
What is the SMILES notation for 2-methyl-N-[(2-phenylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]propanamide?
The canonical SMILES for 2-methyl-N-[(2-phenylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]propanamide is CC(C)C(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1.
What is the InChIKey of 2-methyl-N-[(2-phenylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]propanamide?
The InChIKey is USUPIRYFHGUVOR-IBGZPJMESA-N. The full InChI is InChI=1S/C21H26N2O/c1-16(2)21(24)23(19-12-13-22-14-19)15-18-10-6-7-11-20(18)17-8-4-3-5-9-17/h3-11,16,19,22H,12-15H2,1-2H3/t19-/m0/s1.
What are the key properties of 2-methyl-N-[(2-phenylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]propanamide?
2-methyl-N-[(2-phenylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]propanamide has a molecular weight of 322.45 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(2-phenylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]propanamide is sourced from PubChem (CID 11529874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).