N-(4-chloro-2-methoxy-5-methylphenyl)-3-methylbutanamide

C13H18ClNO2 — CID 9397630

IUPACN-(4-chloro-2-methoxy-5-methylphenyl)-3-methylbutanamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)CC(C)C
InChIInChI=1S/C13H18ClNO2/c1-8(2)5-13(16)15-11-6-9(3)10(14)7-12(11)17-4/h6-8H,5H2,1-4H3,(H,15,16)
InChIKeyYXYBIUQCIODOCL-UHFFFAOYSA-N
MW255.74 g/mol
LogP3.64
Rot. Bonds4

About N-(4-chloro-2-methoxy-5-methylphenyl)-3-methylbutanamide

N-(4-chloro-2-methoxy-5-methylphenyl)-3-methylbutanamide (PubChem CID 9397630) has the molecular formula C13H18ClNO2 and a molecular weight of 255.74 g/mol. Its IUPAC name is N-(4-chloro-2-methoxy-5-methylphenyl)-3-methylbutanamide.

Molecular Properties

Compound NameN-(4-chloro-2-methoxy-5-methylphenyl)-3-methylbutanamide
PubChem CID9397630
Molecular FormulaC13H18ClNO2
Molecular Weight255.74 g/mol
Exact Mass255.10
IUPAC NameN-(4-chloro-2-methoxy-5-methylphenyl)-3-methylbutanamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)CC(C)C
InChIInChI=1S/C13H18ClNO2/c1-8(2)5-13(16)15-11-6-9(3)10(14)7-12(11)17-4/h6-8H,5H2,1-4H3,(H,15,16)
InChIKeyYXYBIUQCIODOCL-UHFFFAOYSA-N
XLogP3.64
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.74
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(4-chloro-2-methoxy-5-methylphenyl)-3-methylbutanamide 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-(4-chloro-2-methoxy-5-methylphenyl)-3-phenylbutanamide
CID 4262485
4-amino-N-(4-chloro-2-methoxy-5-methylphenyl)-3-methoxybutanamide;hydrochloride
CID 120586582
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(methylamino)acetamide
CID 24702273
N-[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl]-3-methylbutanamide
CID 113001550
N-(4-chloro-2-methoxy-5-methylphenyl)-4-oxopentanamide
CID 60637672
2-[acetyl(2-methylpropyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 113158996
N-[4-(4-chloro-2-methoxy-5-methylanilino)-4-oxobutan-2-yl]benzamide
CID 78804763
2-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide
CID 107902832
(2R)-2-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide
CID 41192472
3-amino-N-(4-chloro-2-methoxy-5-methylphenyl)-3-sulfanylidenepropanamide
CID 28942379
N-(4-chloro-2-methoxy-5-methylphenyl)-5-hydroxypentanamide
CID 79018979
N-(4-chloro-2-methoxy-5-methylphenyl)-N'-(5-chloro-2-methoxyphenyl)propanediamide
CID 108955473

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-3-methylbutanamide?
The IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-3-methylbutanamide (CID 9397630) is N-(4-chloro-2-methoxy-5-methylphenyl)-3-methylbutanamide.
What is the SMILES notation for N-(4-chloro-2-methoxy-5-methylphenyl)-3-methylbutanamide?
The canonical SMILES for N-(4-chloro-2-methoxy-5-methylphenyl)-3-methylbutanamide is COc1cc(Cl)c(C)cc1NC(=O)CC(C)C.
What is the InChIKey of N-(4-chloro-2-methoxy-5-methylphenyl)-3-methylbutanamide?
The InChIKey is YXYBIUQCIODOCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2/c1-8(2)5-13(16)15-11-6-9(3)10(14)7-12(11)17-4/h6-8H,5H2,1-4H3,(H,15,16).
What are the key properties of N-(4-chloro-2-methoxy-5-methylphenyl)-3-methylbutanamide?
N-(4-chloro-2-methoxy-5-methylphenyl)-3-methylbutanamide has a molecular weight of 255.74 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methoxy-5-methylphenyl)-3-methylbutanamide is sourced from PubChem (CID 9397630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).