N-[3-(2-methylphenyl)butan-2-yl]acetamide

C13H19NO — CID 20708272

IUPACN-[3-(2-methylphenyl)butan-2-yl]acetamide
SMILESCC(=O)NC(C)C(C)c1ccccc1C
InChIInChI=1S/C13H19NO/c1-9-7-5-6-8-13(9)10(2)11(3)14-12(4)15/h5-8,10-11H,1-4H3,(H,14,15)
InChIKeyJAOVVDZPXGGGBR-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.62
Rot. Bonds3

About N-[3-(2-methylphenyl)butan-2-yl]acetamide

N-[3-(2-methylphenyl)butan-2-yl]acetamide (PubChem CID 20708272) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is N-[3-(2-methylphenyl)butan-2-yl]acetamide.

Molecular Properties

Compound NameN-[3-(2-methylphenyl)butan-2-yl]acetamide
PubChem CID20708272
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC NameN-[3-(2-methylphenyl)butan-2-yl]acetamide
SMILESCC(=O)NC(C)C(C)c1ccccc1C
InChIInChI=1S/C13H19NO/c1-9-7-5-6-8-13(9)10(2)11(3)14-12(4)15/h5-8,10-11H,1-4H3,(H,14,15)
InChIKeyJAOVVDZPXGGGBR-UHFFFAOYSA-N
XLogP2.62
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[3-(2-methylphenyl)butan-2-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-3-(2-methylphenyl)butan-2-one
CID 90139628
N-[(2R)-2-(2-methylphenyl)propyl]acetamide
CID 138978535
3-amino-4-(2-methylphenyl)pentanoic acid
CID 69407204
2-acetamido-3-[[(1R)-1-(2-methylphenyl)ethyl]amino]propanoic acid
CID 81374965
(2S,3S)-2-amino-3-(2-methylphenyl)butanoic acid
CID 14598183
2-methoxy-N-[1-(2-methylphenyl)ethyl]propanamide
CID 112685603
2-bromo-N-[(1S)-1-(2-methylphenyl)ethyl]acetamide
CID 81374930
N-[1-(2-methylphenyl)ethyl]-3-oxobutanamide
CID 18071549
N-[(1S)-1-(2-methylphenyl)-2-nitroethyl]acetamide
CID 134961228
methyl N-[1-(2-methylphenyl)ethyl]carbamate
CID 112683657
3-acetamido-N-[1-(2-methylphenyl)ethyl]-3-phenylpropanamide
CID 78776290
4-acetamido-N-[(1R)-1-(2-methylphenyl)ethyl]benzamide
CID 51456710

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methylphenyl)butan-2-yl]acetamide?
The IUPAC name of N-[3-(2-methylphenyl)butan-2-yl]acetamide (CID 20708272) is N-[3-(2-methylphenyl)butan-2-yl]acetamide.
What is the SMILES notation for N-[3-(2-methylphenyl)butan-2-yl]acetamide?
The canonical SMILES for N-[3-(2-methylphenyl)butan-2-yl]acetamide is CC(=O)NC(C)C(C)c1ccccc1C.
What is the InChIKey of N-[3-(2-methylphenyl)butan-2-yl]acetamide?
The InChIKey is JAOVVDZPXGGGBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-9-7-5-6-8-13(9)10(2)11(3)14-12(4)15/h5-8,10-11H,1-4H3,(H,14,15).
What are the key properties of N-[3-(2-methylphenyl)butan-2-yl]acetamide?
N-[3-(2-methylphenyl)butan-2-yl]acetamide has a molecular weight of 205.30 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methylphenyl)butan-2-yl]acetamide is sourced from PubChem (CID 20708272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).