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

C21H26N2O — CID 11616771

IUPACN-[(2-phenylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]butanamide
SMILESCCCC(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1
InChIInChI=1S/C21H26N2O/c1-2-8-21(24)23(19-13-14-22-15-19)16-18-11-6-7-12-20(18)17-9-4-3-5-10-17/h3-7,9-12,19,22H,2,8,13-16H2,1H3/t19-/m0/s1
InChIKeyQEHHRDFKZARORR-IBGZPJMESA-N
MW322.45 g/mol
LogP3.84
Rot. Bonds6

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

N-[(2-phenylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]butanamide (PubChem CID 11616771) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is N-[(2-phenylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]butanamide.

Molecular Properties

Compound NameN-[(2-phenylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]butanamide
PubChem CID11616771
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC NameN-[(2-phenylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]butanamide
SMILESCCCC(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1
InChIInChI=1S/C21H26N2O/c1-2-8-21(24)23(19-13-14-22-15-19)16-18-11-6-7-12-20(18)17-9-4-3-5-10-17/h3-7,9-12,19,22H,2,8,13-16H2,1H3/t19-/m0/s1
InChIKeyQEHHRDFKZARORR-IBGZPJMESA-N
XLogP3.84
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 ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Remacemide Hydrochloride
CID 60510
Remacemide
CID 60511
F 1459
CID 162185
(3S,6S,10aS)-N-benzhydryl-6-[[(2S)-2-(methylamino)propanoyl]amino]-5-oxo-2,3,6,7,8,9,10,10a-octahydro-1H-pyrrolo[1,2-a]azocine-3-carboxamide
CID 24754886
1-[3,3-Dimethyl-2-(2-Methylamino-Propionylamino)-Butyryl]-Pyrrolidine-2-Carboxylic Acid(1,2,3,4-Tetrahydro-Naphthalen-1-Yl)-Amide
CID 4369343
1-(2-(S)-Amino-3-biphenyl-4-YL-propionyl)-pyrrolidine-2-(S)-carbonitrile
CID 5459374
(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]-N-benzylpyrrolidine-2-carboxamide
CID 10178009
Smac peptido-mimetic 1
CID 11200722
(S)-N-isobutyl-N-(pyrrolidin-3-yl)-2-naphthamide
CID 11220185
(2S)-1-[(2S)-2-[(2S)-2-aminopropanamido]-3-methylbutanoyl]-N-(diphenylmethyl)pyrrolidine-2-carboxamide
CID 11317764
(R)-N-isobutyl-N-(pyrrolidin-3-yl)-2-naphthamide
CID 11323940
(2S)-1-[(2S)-2-[(2S)-2-aminobutanamido]-3-methylbutanoyl]-N-(diphenylmethyl)pyrrolidine-2-carboxamide
CID 11351754

Frequently Asked Questions

What is the IUPAC name of N-[(2-phenylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]butanamide?
The IUPAC name of N-[(2-phenylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]butanamide (CID 11616771) is N-[(2-phenylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]butanamide.
What is the SMILES notation for N-[(2-phenylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]butanamide?
The canonical SMILES for N-[(2-phenylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]butanamide is CCCC(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1.
What is the InChIKey of N-[(2-phenylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]butanamide?
The InChIKey is QEHHRDFKZARORR-IBGZPJMESA-N. The full InChI is InChI=1S/C21H26N2O/c1-2-8-21(24)23(19-13-14-22-15-19)16-18-11-6-7-12-20(18)17-9-4-3-5-10-17/h3-7,9-12,19,22H,2,8,13-16H2,1H3/t19-/m0/s1.
What are the key properties of N-[(2-phenylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]butanamide?
N-[(2-phenylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]butanamide has a molecular weight of 322.45 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-phenylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]butanamide is sourced from PubChem (CID 11616771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).