3-methyl-N-(4-methylphenyl)-2-[(2-phenylacetyl)amino]butanamide

C20H24N2O2 — CID 71534500

IUPAC3-methyl-N-(4-methylphenyl)-2-[(2-phenylacetyl)amino]butanamide
SMILESCc1ccc(NC(=O)C(NC(=O)Cc2ccccc2)C(C)C)cc1
InChIInChI=1S/C20H24N2O2/c1-14(2)19(20(24)21-17-11-9-15(3)10-12-17)22-18(23)13-16-7-5-4-6-8-16/h4-12,14,19H,13H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyVJMHVMTVFMKRSY-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.32
Rot. Bonds6

About 3-methyl-N-(4-methylphenyl)-2-[(2-phenylacetyl)amino]butanamide

3-methyl-N-(4-methylphenyl)-2-[(2-phenylacetyl)amino]butanamide (PubChem CID 71534500) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 3-methyl-N-(4-methylphenyl)-2-[(2-phenylacetyl)amino]butanamide.

Molecular Properties

Compound Name3-methyl-N-(4-methylphenyl)-2-[(2-phenylacetyl)amino]butanamide
PubChem CID71534500
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name3-methyl-N-(4-methylphenyl)-2-[(2-phenylacetyl)amino]butanamide
SMILESCc1ccc(NC(=O)C(NC(=O)Cc2ccccc2)C(C)C)cc1
InChIInChI=1S/C20H24N2O2/c1-14(2)19(20(24)21-17-11-9-15(3)10-12-17)22-18(23)13-16-7-5-4-6-8-16/h4-12,14,19H,13H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyVJMHVMTVFMKRSY-UHFFFAOYSA-N
XLogP3.32
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-N-(4-methylphenyl)-2-[(2-naphthalen-2-ylacetyl)amino]butanamide
CID 60575785
(2S)-3-methyl-N-(3-methylphenyl)-2-[(2-phenylacetyl)amino]butanamide
CID 9038834
3-methyl-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-2-[(2-phenylacetyl)amino]butanamide
CID 46121753
(2R)-3-methyl-N-(2-methyl-4-pyridinyl)-2-[(2-phenylacetyl)amino]butanamide
CID 96526958
N-[4-(cyclopentylmethylamino)phenyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide
CID 56533856
(2S)-N-(3-cyanophenyl)-3-methyl-2-[(2-phenylacetyl)amino]butanamide
CID 8927212
3-methyl-N-(3-methylsulfonylphenyl)-2-[(2-phenylacetyl)amino]butanamide
CID 55416154
N-(2-aminoethyl)-3-methyl-2-[(2-phenylacetyl)amino]butanamide;hydrochloride
CID 119382456
2-[4-[[2-(carbamoylamino)-3-methylbutanoyl]amino]phenyl]acetic acid
CID 43358520
(4-acetamidophenyl) 3-methyl-2-[(2-phenylacetyl)amino]butanoate
CID 51152582
3-methyl-N-(4-methyl-1,3-thiazol-2-yl)-2-[(2-phenylacetyl)amino]butanamide
CID 74654559
(2S)-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide
CID 40942018

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(4-methylphenyl)-2-[(2-phenylacetyl)amino]butanamide?
The IUPAC name of 3-methyl-N-(4-methylphenyl)-2-[(2-phenylacetyl)amino]butanamide (CID 71534500) is 3-methyl-N-(4-methylphenyl)-2-[(2-phenylacetyl)amino]butanamide.
What is the SMILES notation for 3-methyl-N-(4-methylphenyl)-2-[(2-phenylacetyl)amino]butanamide?
The canonical SMILES for 3-methyl-N-(4-methylphenyl)-2-[(2-phenylacetyl)amino]butanamide is Cc1ccc(NC(=O)C(NC(=O)Cc2ccccc2)C(C)C)cc1.
What is the InChIKey of 3-methyl-N-(4-methylphenyl)-2-[(2-phenylacetyl)amino]butanamide?
The InChIKey is VJMHVMTVFMKRSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-14(2)19(20(24)21-17-11-9-15(3)10-12-17)22-18(23)13-16-7-5-4-6-8-16/h4-12,14,19H,13H2,1-3H3,(H,21,24)(H,22,23).
What are the key properties of 3-methyl-N-(4-methylphenyl)-2-[(2-phenylacetyl)amino]butanamide?
3-methyl-N-(4-methylphenyl)-2-[(2-phenylacetyl)amino]butanamide has a molecular weight of 324.42 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(4-methylphenyl)-2-[(2-phenylacetyl)amino]butanamide is sourced from PubChem (CID 71534500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).