N-acetyl-2-(4-methylphenyl)butanamide

C13H17NO2 — CID 176949258

IUPACN-acetyl-2-(4-methylphenyl)butanamide
SMILESCCC(C(=O)NC(C)=O)c1ccc(C)cc1
InChIInChI=1S/C13H17NO2/c1-4-12(13(16)14-10(3)15)11-7-5-9(2)6-8-11/h5-8,12H,4H2,1-3H3,(H,14,15,16)
InChIKeyBLEKTNSTUHTVIL-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.15
Rot. Bonds3

About N-acetyl-2-(4-methylphenyl)butanamide

N-acetyl-2-(4-methylphenyl)butanamide (PubChem CID 176949258) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is N-acetyl-2-(4-methylphenyl)butanamide.

Molecular Properties

Compound NameN-acetyl-2-(4-methylphenyl)butanamide
PubChem CID176949258
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC NameN-acetyl-2-(4-methylphenyl)butanamide
SMILESCCC(C(=O)NC(C)=O)c1ccc(C)cc1
InChIInChI=1S/C13H17NO2/c1-4-12(13(16)14-10(3)15)11-7-5-9(2)6-8-11/h5-8,12H,4H2,1-3H3,(H,14,15,16)
InChIKeyBLEKTNSTUHTVIL-UHFFFAOYSA-N
XLogP2.15
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-acetyl-2-(4-tert-butylphenyl)butanamide
CID 166549728
N-methyl-2-(4-methylphenyl)butanamide
CID 177273297
N,2-bis(4-methylphenyl)butanamide
CID 2750915
(2R)-N-(4-methylphenyl)-2-phenylbutanamide
CID 835806
N-hydroxy-4-[2-(4-methylphenyl)butanoylamino]benzamide
CID 123214374
(3S)-4-hydroxy-3-(4-methylphenyl)butan-2-one
CID 122606253
4-bromo-3-(4-methylphenyl)butan-2-one
CID 90423564
(2R)-2-(4-aminophenyl)-1-(4-methylphenyl)butan-1-one
CID 95561132
N-[(4-methylphenyl)methylsulfonyl]-2-phenylbutanamide
CID 130327231
butan-2-one;1-methyl-4-propan-2-ylbenzene
CID 163264285
2,3-bis(4-methylphenyl)propanehydrazide
CID 70580652
2-methyl-N-[(1S)-1-(4-methylphenyl)propyl]propanamide
CID 95358385

Frequently Asked Questions

What is the IUPAC name of N-acetyl-2-(4-methylphenyl)butanamide?
The IUPAC name of N-acetyl-2-(4-methylphenyl)butanamide (CID 176949258) is N-acetyl-2-(4-methylphenyl)butanamide.
What is the SMILES notation for N-acetyl-2-(4-methylphenyl)butanamide?
The canonical SMILES for N-acetyl-2-(4-methylphenyl)butanamide is CCC(C(=O)NC(C)=O)c1ccc(C)cc1.
What is the InChIKey of N-acetyl-2-(4-methylphenyl)butanamide?
The InChIKey is BLEKTNSTUHTVIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-4-12(13(16)14-10(3)15)11-7-5-9(2)6-8-11/h5-8,12H,4H2,1-3H3,(H,14,15,16).
What are the key properties of N-acetyl-2-(4-methylphenyl)butanamide?
N-acetyl-2-(4-methylphenyl)butanamide has a molecular weight of 219.28 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-2-(4-methylphenyl)butanamide is sourced from PubChem (CID 176949258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).