(3R)-3-amino-N-(3-methylphenyl)-3-phenylbutanamide

C17H20N2O — CID 59627240

IUPAC(3R)-3-amino-N-(3-methylphenyl)-3-phenylbutanamide
SMILESCc1cccc(NC(=O)C[C@@](C)(N)c2ccccc2)c1
InChIInChI=1S/C17H20N2O/c1-13-7-6-10-15(11-13)19-16(20)12-17(2,18)14-8-4-3-5-9-14/h3-11H,12,18H2,1-2H3,(H,19,20)/t17-/m1/s1
InChIKeyNZLNSQYYSZCEIT-QGZVFWFLSA-N
MW268.36 g/mol
LogP3.20
Rot. Bonds4

About (3R)-3-amino-N-(3-methylphenyl)-3-phenylbutanamide

(3R)-3-amino-N-(3-methylphenyl)-3-phenylbutanamide (PubChem CID 59627240) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is (3R)-3-amino-N-(3-methylphenyl)-3-phenylbutanamide.

Molecular Properties

Compound Name(3R)-3-amino-N-(3-methylphenyl)-3-phenylbutanamide
PubChem CID59627240
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name(3R)-3-amino-N-(3-methylphenyl)-3-phenylbutanamide
SMILESCc1cccc(NC(=O)C[C@@](C)(N)c2ccccc2)c1
InChIInChI=1S/C17H20N2O/c1-13-7-6-10-15(11-13)19-16(20)12-17(2,18)14-8-4-3-5-9-14/h3-11H,12,18H2,1-2H3,(H,19,20)/t17-/m1/s1
InChIKeyNZLNSQYYSZCEIT-QGZVFWFLSA-N
XLogP3.20
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3-amino-3-methylbutanoyl)amino]benzoic acid
CID 64677151
2-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-(3-methylphenyl)acetamide
CID 43389800
N-(3-methylphenyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 7409922
N-(2-hydroxy-2-phenylpropyl)-N'-(3-methylphenyl)oxamide
CID 121112034
2-[[2-(3-methylanilino)-2-oxoethyl]amino]propanoic acid
CID 43467219
N-(3-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604930
2-methyl-2-[[2-(3-methylanilino)-2-oxoethyl]amino]butanoic acid
CID 79788912
4-hydroxy-N-(3-methylphenyl)butanamide
CID 11367548
N-(3-methylphenyl)-4-oxo-4-phenylbutanamide
CID 7779680
N-[2-(3-methylanilino)-2-oxoethyl]benzamide
CID 2968363
2-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-N-(3-methylphenyl)acetamide
CID 103911929
N-(3-methylphenyl)-2-phenylsulfanylacetamide
CID 532042

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-N-(3-methylphenyl)-3-phenylbutanamide?
The IUPAC name of (3R)-3-amino-N-(3-methylphenyl)-3-phenylbutanamide (CID 59627240) is (3R)-3-amino-N-(3-methylphenyl)-3-phenylbutanamide.
What is the SMILES notation for (3R)-3-amino-N-(3-methylphenyl)-3-phenylbutanamide?
The canonical SMILES for (3R)-3-amino-N-(3-methylphenyl)-3-phenylbutanamide is Cc1cccc(NC(=O)C[C@@](C)(N)c2ccccc2)c1.
What is the InChIKey of (3R)-3-amino-N-(3-methylphenyl)-3-phenylbutanamide?
The InChIKey is NZLNSQYYSZCEIT-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H20N2O/c1-13-7-6-10-15(11-13)19-16(20)12-17(2,18)14-8-4-3-5-9-14/h3-11H,12,18H2,1-2H3,(H,19,20)/t17-/m1/s1.
What are the key properties of (3R)-3-amino-N-(3-methylphenyl)-3-phenylbutanamide?
(3R)-3-amino-N-(3-methylphenyl)-3-phenylbutanamide has a molecular weight of 268.36 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-N-(3-methylphenyl)-3-phenylbutanamide is sourced from PubChem (CID 59627240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).