N-[4-(butan-2-ylamino)-2-methylphenyl]acetamide

C13H20N2O — CID 43672867

IUPACN-[4-(butan-2-ylamino)-2-methylphenyl]acetamide
SMILESCCC(C)Nc1ccc(NC(C)=O)c(C)c1
InChIInChI=1S/C13H20N2O/c1-5-10(3)14-12-6-7-13(9(2)8-12)15-11(4)16/h6-8,10,14H,5H2,1-4H3,(H,15,16)
InChIKeyGVSHSERWDRWLAI-UHFFFAOYSA-N
MW220.32 g/mol
LogP3.16
Rot. Bonds4

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

N-[4-(butan-2-ylamino)-2-methylphenyl]acetamide (PubChem CID 43672867) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is N-[4-(butan-2-ylamino)-2-methylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-(butan-2-ylamino)-2-methylphenyl]acetamide
PubChem CID43672867
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC NameN-[4-(butan-2-ylamino)-2-methylphenyl]acetamide
SMILESCCC(C)Nc1ccc(NC(C)=O)c(C)c1
InChIInChI=1S/C13H20N2O/c1-5-10(3)14-12-6-7-13(9(2)8-12)15-11(4)16/h6-8,10,14H,5H2,1-4H3,(H,15,16)
InChIKeyGVSHSERWDRWLAI-UHFFFAOYSA-N
XLogP3.16
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[4-(butan-2-ylamino)-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

N-[2-methyl-4-(pentan-3-ylamino)phenyl]acetamide
CID 43672883
N-[2-methyl-4-(nonan-2-ylamino)phenyl]acetamide
CID 43672857
N-[4-(hex-5-en-2-ylamino)-2-methylphenyl]acetamide
CID 104584017
tert-butyl N-[2-(4-acetamido-3-methylanilino)propyl]carbamate
CID 103387940
N-[2-methyl-4-(2-methylpropylamino)phenyl]acetamide
CID 43672835
N-(4-acetamido-3-methylphenyl)-2-aminobutanamide
CID 43698853
N-[4-[1-(5-ethylthiophen-2-yl)ethylamino]-2-methylphenyl]acetamide
CID 61334340
N-[4-[(2S)-butan-2-yl]-2-methylphenyl]acetamide
CID 142207659
N-[2-methyl-4-(1-pyridin-4-ylethylamino)phenyl]acetamide
CID 43672879
N-[2-methyl-4-[[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]phenyl]acetamide
CID 34284461
N-[2-methyl-4-[[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]phenyl]acetamide
CID 34284466
N-[4-[1-(2-chlorophenyl)ethylamino]-2-methylphenyl]acetamide
CID 43672852

Frequently Asked Questions

What is the IUPAC name of N-[4-(butan-2-ylamino)-2-methylphenyl]acetamide?
The IUPAC name of N-[4-(butan-2-ylamino)-2-methylphenyl]acetamide (CID 43672867) is N-[4-(butan-2-ylamino)-2-methylphenyl]acetamide.
What is the SMILES notation for N-[4-(butan-2-ylamino)-2-methylphenyl]acetamide?
The canonical SMILES for N-[4-(butan-2-ylamino)-2-methylphenyl]acetamide is CCC(C)Nc1ccc(NC(C)=O)c(C)c1.
What is the InChIKey of N-[4-(butan-2-ylamino)-2-methylphenyl]acetamide?
The InChIKey is GVSHSERWDRWLAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-5-10(3)14-12-6-7-13(9(2)8-12)15-11(4)16/h6-8,10,14H,5H2,1-4H3,(H,15,16).
What are the key properties of N-[4-(butan-2-ylamino)-2-methylphenyl]acetamide?
N-[4-(butan-2-ylamino)-2-methylphenyl]acetamide has a molecular weight of 220.32 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(butan-2-ylamino)-2-methylphenyl]acetamide is sourced from PubChem (CID 43672867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).