N-(5-acetyl-2-methylphenyl)-3-methyl-3-phenylbutanamide

C20H23NO2 — CID 110618397

IUPACN-(5-acetyl-2-methylphenyl)-3-methyl-3-phenylbutanamide
SMILESCC(=O)c1ccc(C)c(NC(=O)CC(C)(C)c2ccccc2)c1
InChIInChI=1S/C20H23NO2/c1-14-10-11-16(15(2)22)12-18(14)21-19(23)13-20(3,4)17-8-6-5-7-9-17/h5-12H,13H2,1-4H3,(H,21,23)
InChIKeyDYYGGSUYOOEGBQ-UHFFFAOYSA-N
MW309.41 g/mol
LogP4.50
Rot. Bonds5

About N-(5-acetyl-2-methylphenyl)-3-methyl-3-phenylbutanamide

N-(5-acetyl-2-methylphenyl)-3-methyl-3-phenylbutanamide (PubChem CID 110618397) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is N-(5-acetyl-2-methylphenyl)-3-methyl-3-phenylbutanamide.

Molecular Properties

Compound NameN-(5-acetyl-2-methylphenyl)-3-methyl-3-phenylbutanamide
PubChem CID110618397
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC NameN-(5-acetyl-2-methylphenyl)-3-methyl-3-phenylbutanamide
SMILESCC(=O)c1ccc(C)c(NC(=O)CC(C)(C)c2ccccc2)c1
InChIInChI=1S/C20H23NO2/c1-14-10-11-16(15(2)22)12-18(14)21-19(23)13-20(3,4)17-8-6-5-7-9-17/h5-12H,13H2,1-4H3,(H,21,23)
InChIKeyDYYGGSUYOOEGBQ-UHFFFAOYSA-N
XLogP4.50
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-chloro-2-methylphenyl)-3-hydroxy-3-phenylbutanamide
CID 110024296
2-[3-methyl-4-[(3-methyl-3-phenylbutanoyl)amino]phenoxy]acetic acid
CID 119231879
4-methyl-3-(propanoylamino)benzoic acid
CID 888092
N-(5-acetyl-2-methylphenyl)-3-cyclopropyl-3-phenylpropanamide
CID 110618424
N-(5-acetyl-2-methylphenyl)-3-methylsulfonylpropanamide
CID 110612634
4-methyl-3-[(2-phenoxyacetyl)amino]benzoic acid
CID 18070473
(E)-N-(5-acetyl-2-methylphenyl)-2-methyl-3-phenylprop-2-enamide
CID 110618434
3-[[2-[(2-acetamidoacetyl)amino]acetyl]amino]-4-methylbenzoic acid
CID 119219462
N-(5-acetyl-2-methylphenyl)-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 110604119
N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]-3-methyl-3-phenylbutanamide
CID 60596548
N-(3-acetamidopropyl)-3-methyl-3-phenylbutanamide
CID 110309467
N-[2-[(3-methyl-3-phenylbutanoyl)amino]ethyl]benzamide
CID 110309389

Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-2-methylphenyl)-3-methyl-3-phenylbutanamide?
The IUPAC name of N-(5-acetyl-2-methylphenyl)-3-methyl-3-phenylbutanamide (CID 110618397) is N-(5-acetyl-2-methylphenyl)-3-methyl-3-phenylbutanamide.
What is the SMILES notation for N-(5-acetyl-2-methylphenyl)-3-methyl-3-phenylbutanamide?
The canonical SMILES for N-(5-acetyl-2-methylphenyl)-3-methyl-3-phenylbutanamide is CC(=O)c1ccc(C)c(NC(=O)CC(C)(C)c2ccccc2)c1.
What is the InChIKey of N-(5-acetyl-2-methylphenyl)-3-methyl-3-phenylbutanamide?
The InChIKey is DYYGGSUYOOEGBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2/c1-14-10-11-16(15(2)22)12-18(14)21-19(23)13-20(3,4)17-8-6-5-7-9-17/h5-12H,13H2,1-4H3,(H,21,23).
What are the key properties of N-(5-acetyl-2-methylphenyl)-3-methyl-3-phenylbutanamide?
N-(5-acetyl-2-methylphenyl)-3-methyl-3-phenylbutanamide has a molecular weight of 309.41 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetyl-2-methylphenyl)-3-methyl-3-phenylbutanamide is sourced from PubChem (CID 110618397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).