N-[4-[(2S)-butan-2-yl]-2-methylphenyl]acetamide

C13H19NO — CID 142207659

IUPACN-[4-[(2S)-butan-2-yl]-2-methylphenyl]acetamide
SMILESCC[C@H](C)c1ccc(NC(C)=O)c(C)c1
InChIInChI=1S/C13H19NO/c1-5-9(2)12-6-7-13(10(3)8-12)14-11(4)15/h6-9H,5H2,1-4H3,(H,14,15)/t9-/m0/s1
InChIKeyVYJGNOXFPJBSLE-VIFPVBQESA-N
MW205.30 g/mol
LogP3.47
Rot. Bonds3

About N-[4-[(2S)-butan-2-yl]-2-methylphenyl]acetamide

N-[4-[(2S)-butan-2-yl]-2-methylphenyl]acetamide (PubChem CID 142207659) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is N-[4-[(2S)-butan-2-yl]-2-methylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(2S)-butan-2-yl]-2-methylphenyl]acetamide
PubChem CID142207659
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC NameN-[4-[(2S)-butan-2-yl]-2-methylphenyl]acetamide
SMILESCC[C@H](C)c1ccc(NC(C)=O)c(C)c1
InChIInChI=1S/C13H19NO/c1-5-9(2)12-6-7-13(10(3)8-12)14-11(4)15/h6-9H,5H2,1-4H3,(H,14,15)/t9-/m0/s1
InChIKeyVYJGNOXFPJBSLE-VIFPVBQESA-N
XLogP3.47
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 ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[4-[(2S)-butan-2-yl]-2-methylphenyl]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

(2R)-2-(4-acetamido-3-methylphenyl)-2-hydroxyacetic acid
CID 57182307
N-[4-(butan-2-ylamino)-2-methylphenyl]acetamide
CID 43672867
N-[2-methyl-4-(pentan-3-ylamino)phenyl]acetamide
CID 43672883
1-(4-bromo-2-methylphenyl)-3-(4-butan-2-ylphenyl)thiourea
CID 17269929
N-[(5-butan-2-yl-2-hydroxyphenyl)carbamothioyl]acetamide
CID 17099998
N-[2-methyl-4-(2-methylpropylamino)phenyl]acetamide
CID 43672835
N-(4-acetamido-3-methylphenyl)-2-aminobutanamide
CID 43698853
1,4-di(butan-2-yl)-2-methylbenzene
CID 58616694
1-(4-butan-2-ylphenyl)ethyl N-[4-(diethylamino)-2-methylphenyl]carbamate
CID 23514727
N-[2-[(2R)-butan-2-yl]phenyl]acetamide
CID 959734
N-[4-(2-hydroxyethylsulfamoyl)-2-methylphenyl]acetamide
CID 58962606
N-(4-iodo-2-methylphenyl)-2-methylbutanamide
CID 46511135

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2S)-butan-2-yl]-2-methylphenyl]acetamide?
The IUPAC name of N-[4-[(2S)-butan-2-yl]-2-methylphenyl]acetamide (CID 142207659) is N-[4-[(2S)-butan-2-yl]-2-methylphenyl]acetamide.
What is the SMILES notation for N-[4-[(2S)-butan-2-yl]-2-methylphenyl]acetamide?
The canonical SMILES for N-[4-[(2S)-butan-2-yl]-2-methylphenyl]acetamide is CC[C@H](C)c1ccc(NC(C)=O)c(C)c1.
What is the InChIKey of N-[4-[(2S)-butan-2-yl]-2-methylphenyl]acetamide?
The InChIKey is VYJGNOXFPJBSLE-VIFPVBQESA-N. The full InChI is InChI=1S/C13H19NO/c1-5-9(2)12-6-7-13(10(3)8-12)14-11(4)15/h6-9H,5H2,1-4H3,(H,14,15)/t9-/m0/s1.
What are the key properties of N-[4-[(2S)-butan-2-yl]-2-methylphenyl]acetamide?
N-[4-[(2S)-butan-2-yl]-2-methylphenyl]acetamide has a molecular weight of 205.30 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2S)-butan-2-yl]-2-methylphenyl]acetamide is sourced from PubChem (CID 142207659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).