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

C22H28N2O — CID 11566229

IUPAC3-methyl-N-[(2-phenylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]butanamide
SMILESCC(C)CC(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1
InChIInChI=1S/C22H28N2O/c1-17(2)14-22(25)24(20-12-13-23-15-20)16-19-10-6-7-11-21(19)18-8-4-3-5-9-18/h3-11,17,20,23H,12-16H2,1-2H3/t20-/m0/s1
InChIKeyRDLDWTPNWMTWKO-FQEVSTJZSA-N
MW336.48 g/mol
LogP4.09
Rot. Bonds6

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

3-methyl-N-[(2-phenylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]butanamide (PubChem CID 11566229) has the molecular formula C22H28N2O and a molecular weight of 336.48 g/mol. Its IUPAC name is 3-methyl-N-[(2-phenylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[(2-phenylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]butanamide
PubChem CID11566229
Molecular FormulaC22H28N2O
Molecular Weight336.48 g/mol
Exact Mass336.22
IUPAC Name3-methyl-N-[(2-phenylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]butanamide
SMILESCC(C)CC(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1
InChIInChI=1S/C22H28N2O/c1-17(2)14-22(25)24(20-12-13-23-15-20)16-19-10-6-7-11-21(19)18-8-4-3-5-9-18/h3-11,17,20,23H,12-16H2,1-2H3/t20-/m0/s1
InChIKeyRDLDWTPNWMTWKO-FQEVSTJZSA-N
XLogP4.09
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 60510
Remacemide
CID 60511
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F 1459
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1-[3,3-Dimethyl-2-(2-Methylamino-Propionylamino)-Butyryl]-Pyrrolidine-2-Carboxylic Acid(1,2,3,4-Tetrahydro-Naphthalen-1-Yl)-Amide
CID 4369343
(1S)-1-Cyclopropyl-2-[(2S)-4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydro-1H-pyrrol-1-YL]-2-oxoethanamine
CID 6102824
1-(2-(S)-Amino-3-biphenyl-4-YL-propionyl)-pyrrolidine-2-(S)-carbonitrile
CID 5459374
(2S)-1-[(2S)-2-cyclohexyl-2-[(2S)-2-(methylamino)propanamido]acetyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide
CID 6918762
(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

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(2-phenylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]butanamide?
The IUPAC name of 3-methyl-N-[(2-phenylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]butanamide (CID 11566229) is 3-methyl-N-[(2-phenylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]butanamide.
What is the SMILES notation for 3-methyl-N-[(2-phenylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]butanamide?
The canonical SMILES for 3-methyl-N-[(2-phenylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]butanamide is CC(C)CC(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1.
What is the InChIKey of 3-methyl-N-[(2-phenylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]butanamide?
The InChIKey is RDLDWTPNWMTWKO-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H28N2O/c1-17(2)14-22(25)24(20-12-13-23-15-20)16-19-10-6-7-11-21(19)18-8-4-3-5-9-18/h3-11,17,20,23H,12-16H2,1-2H3/t20-/m0/s1.
What are the key properties of 3-methyl-N-[(2-phenylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]butanamide?
3-methyl-N-[(2-phenylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]butanamide has a molecular weight of 336.48 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(2-phenylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]butanamide is sourced from PubChem (CID 11566229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).