(2R)-N-(2-methylquinolin-5-yl)-2-phenylbutanamide

C20H20N2O — CID 51896436

IUPAC(2R)-N-(2-methylquinolin-5-yl)-2-phenylbutanamide
SMILESCC[C@@H](C(=O)Nc1cccc2nc(C)ccc12)c1ccccc1
InChIInChI=1S/C20H20N2O/c1-3-16(15-8-5-4-6-9-15)20(23)22-19-11-7-10-18-17(19)13-12-14(2)21-18/h4-13,16H,3H2,1-2H3,(H,22,23)/t16-/m1/s1
InChIKeyURLZXIJALZGSIU-MRXNPFEDSA-N
MW304.39 g/mol
LogP4.68
Rot. Bonds4

About (2R)-N-(2-methylquinolin-5-yl)-2-phenylbutanamide

(2R)-N-(2-methylquinolin-5-yl)-2-phenylbutanamide (PubChem CID 51896436) has the molecular formula C20H20N2O and a molecular weight of 304.39 g/mol. Its IUPAC name is (2R)-N-(2-methylquinolin-5-yl)-2-phenylbutanamide.

Molecular Properties

Compound Name(2R)-N-(2-methylquinolin-5-yl)-2-phenylbutanamide
PubChem CID51896436
Molecular FormulaC20H20N2O
Molecular Weight304.39 g/mol
Exact Mass304.16
IUPAC Name(2R)-N-(2-methylquinolin-5-yl)-2-phenylbutanamide
SMILESCC[C@@H](C(=O)Nc1cccc2nc(C)ccc12)c1ccccc1
InChIInChI=1S/C20H20N2O/c1-3-16(15-8-5-4-6-9-15)20(23)22-19-11-7-10-18-17(19)13-12-14(2)21-18/h4-13,16H,3H2,1-2H3,(H,22,23)/t16-/m1/s1
InChIKeyURLZXIJALZGSIU-MRXNPFEDSA-N
XLogP4.68
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,6-dimethylphenyl)-2-phenylbutanamide
CID 4117919
N-(2-fluorophenyl)-2-phenylbutanamide
CID 3897268
(2R)-N-(2-fluorophenyl)-2-phenylbutanamide
CID 7313846
N-(2-methylphenyl)-2-phenylpentanamide
CID 78775166
(2R)-2-phenyl-N-(2-phenylphenyl)butanamide
CID 1328236
2-[[(2R)-2-phenylbutanoyl]amino]benzoate
CID 6957947
N-(2,4-dimethylphenyl)-2-phenylbutanamide
CID 2886746
N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-4-ium-2-yl)phenyl]-2-phenylbutanamide
CID 3520109
(2R)-N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-2-phenylbutanamide
CID 97414224
N-(4-hydroxy-2,5-dimethylphenyl)-2-phenylbutanamide
CID 106834917
(2S)-N-[4-methyl-3-[[(2R)-2-phenylbutanoyl]amino]phenyl]-2-phenylbutanamide
CID 7314167
N-(3-acetamido-2-methylphenyl)-2-phenylpentanamide
CID 134019127

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-methylquinolin-5-yl)-2-phenylbutanamide?
The IUPAC name of (2R)-N-(2-methylquinolin-5-yl)-2-phenylbutanamide (CID 51896436) is (2R)-N-(2-methylquinolin-5-yl)-2-phenylbutanamide.
What is the SMILES notation for (2R)-N-(2-methylquinolin-5-yl)-2-phenylbutanamide?
The canonical SMILES for (2R)-N-(2-methylquinolin-5-yl)-2-phenylbutanamide is CC[C@@H](C(=O)Nc1cccc2nc(C)ccc12)c1ccccc1.
What is the InChIKey of (2R)-N-(2-methylquinolin-5-yl)-2-phenylbutanamide?
The InChIKey is URLZXIJALZGSIU-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H20N2O/c1-3-16(15-8-5-4-6-9-15)20(23)22-19-11-7-10-18-17(19)13-12-14(2)21-18/h4-13,16H,3H2,1-2H3,(H,22,23)/t16-/m1/s1.
What are the key properties of (2R)-N-(2-methylquinolin-5-yl)-2-phenylbutanamide?
(2R)-N-(2-methylquinolin-5-yl)-2-phenylbutanamide has a molecular weight of 304.39 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-methylquinolin-5-yl)-2-phenylbutanamide is sourced from PubChem (CID 51896436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).