N-methyl-N-[1-(4-methylphenyl)propan-2-yl]acetamide

C13H19NO — CID 165361906

IUPACN-methyl-N-[1-(4-methylphenyl)propan-2-yl]acetamide
SMILESCC(=O)N(C)C(C)Cc1ccc(C)cc1
InChIInChI=1S/C13H19NO/c1-10-5-7-13(8-6-10)9-11(2)14(4)12(3)15/h5-8,11H,9H2,1-4H3
InChIKeyKHVGPNAPQHMDCK-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.40
Rot. Bonds3

About N-methyl-N-[1-(4-methylphenyl)propan-2-yl]acetamide

N-methyl-N-[1-(4-methylphenyl)propan-2-yl]acetamide (PubChem CID 165361906) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is N-methyl-N-[1-(4-methylphenyl)propan-2-yl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[1-(4-methylphenyl)propan-2-yl]acetamide
PubChem CID165361906
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC NameN-methyl-N-[1-(4-methylphenyl)propan-2-yl]acetamide
SMILESCC(=O)N(C)C(C)Cc1ccc(C)cc1
InChIInChI=1S/C13H19NO/c1-10-5-7-13(8-6-10)9-11(2)14(4)12(3)15/h5-8,11H,9H2,1-4H3
InChIKeyKHVGPNAPQHMDCK-UHFFFAOYSA-N
XLogP2.40
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-amino-N-methyl-N-[1-(4-methylphenyl)propan-2-yl]acetamide;hydrochloride
CID 119330274
4-[4-[2-[acetyl(methyl)amino]propyl]phenyl]-4-oxobutanoic acid
CID 12850263
2-amino-N-methyl-N-[1-(4-methylphenyl)propan-2-yl]pentanamide;hydrochloride
CID 119330280
5-[4-[(2R)-2-[acetyl(methyl)amino]propyl]phenyl]-5-oxopentanoic acid
CID 57187704
2-(cyclopropylmethylamino)-N-methyl-N-[1-(4-methylphenyl)propan-2-yl]acetamide
CID 119795542
4-[[methyl-[1-(4-methylphenyl)propan-2-yl]carbamoyl]amino]butanoic acid
CID 122023178
4-[[[methyl-[1-(4-methylphenyl)propan-2-yl]carbamoyl]amino]methyl]benzoic acid
CID 122021066
N-methyl-2-[methyl-[(2R)-1-(4-methylphenyl)propan-2-yl]amino]acetamide
CID 95633042
2-(cyclopropylmethylamino)-N-methyl-N-[1-(4-methylphenyl)propan-2-yl]acetamide;hydrochloride
CID 119795541
N-methyl-N-[(2S)-1-(3-phenylphenyl)propan-2-yl]acetamide
CID 121274891
N-methyl-N-[1-(4-methylphenyl)propan-2-yl]sulfamoyl fluoride
CID 154880311
3-amino-N-methyl-N-[1-(4-methylphenyl)propan-2-yl]cyclohexane-1-carboxamide
CID 119795534

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[1-(4-methylphenyl)propan-2-yl]acetamide?
The IUPAC name of N-methyl-N-[1-(4-methylphenyl)propan-2-yl]acetamide (CID 165361906) is N-methyl-N-[1-(4-methylphenyl)propan-2-yl]acetamide.
What is the SMILES notation for N-methyl-N-[1-(4-methylphenyl)propan-2-yl]acetamide?
The canonical SMILES for N-methyl-N-[1-(4-methylphenyl)propan-2-yl]acetamide is CC(=O)N(C)C(C)Cc1ccc(C)cc1.
What is the InChIKey of N-methyl-N-[1-(4-methylphenyl)propan-2-yl]acetamide?
The InChIKey is KHVGPNAPQHMDCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-10-5-7-13(8-6-10)9-11(2)14(4)12(3)15/h5-8,11H,9H2,1-4H3.
What are the key properties of N-methyl-N-[1-(4-methylphenyl)propan-2-yl]acetamide?
N-methyl-N-[1-(4-methylphenyl)propan-2-yl]acetamide has a molecular weight of 205.30 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-(4-methylphenyl)propan-2-yl]acetamide is sourced from PubChem (CID 165361906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).