2-[acetyl(butyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide

C16H23ClN2O3 — CID 113158798

IUPAC2-[acetyl(butyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
SMILESCCCCN(CC(=O)Nc1cc(C)c(Cl)cc1OC)C(C)=O
InChIInChI=1S/C16H23ClN2O3/c1-5-6-7-19(12(3)20)10-16(21)18-14-8-11(2)13(17)9-15(14)22-4/h8-9H,5-7,10H2,1-4H3,(H,18,21)
InChIKeyPWKSTVWETRLSRJ-UHFFFAOYSA-N
MW326.82 g/mol
LogP3.24
Rot. Bonds7

About 2-[acetyl(butyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide

2-[acetyl(butyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide (PubChem CID 113158798) has the molecular formula C16H23ClN2O3 and a molecular weight of 326.82 g/mol. Its IUPAC name is 2-[acetyl(butyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[acetyl(butyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
PubChem CID113158798
Molecular FormulaC16H23ClN2O3
Molecular Weight326.82 g/mol
Exact Mass326.14
IUPAC Name2-[acetyl(butyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
SMILESCCCCN(CC(=O)Nc1cc(C)c(Cl)cc1OC)C(C)=O
InChIInChI=1S/C16H23ClN2O3/c1-5-6-7-19(12(3)20)10-16(21)18-14-8-11(2)13(17)9-15(14)22-4/h8-9H,5-7,10H2,1-4H3,(H,18,21)
InChIKeyPWKSTVWETRLSRJ-UHFFFAOYSA-N
XLogP3.24
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.82
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[acetyl(butyl)amino]-N-(4-chloro-2-methoxy-5-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

2-[acetyl(propyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 113158086
2-[acetyl-[3-(dimethylamino)propyl]amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 113160948
2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 113160569
2-[acetyl(2-methoxyethyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 113159978
2-[butyl(2-hydroxyethyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 110881535
2-[acetyl(2-methylpropyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 113158996
3-[acetyl(3-methoxypropyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide
CID 113117237
2-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 113162311
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[[2-(dimethylamino)-2-oxoethyl]-propylamino]acetamide
CID 60563426
N'-(4-chloro-2-methoxy-5-methylphenyl)-N-pentylpropanediamide
CID 108951986
N-(4-chloro-2-methoxy-5-methylphenyl)-N',N'-dipropyloxamide
CID 108528740
N-(4-chloro-2-methoxy-5-methylphenyl)-4-oxopentanamide
CID 60637672

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(butyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide?
The IUPAC name of 2-[acetyl(butyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide (CID 113158798) is 2-[acetyl(butyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide.
What is the SMILES notation for 2-[acetyl(butyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide?
The canonical SMILES for 2-[acetyl(butyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide is CCCCN(CC(=O)Nc1cc(C)c(Cl)cc1OC)C(C)=O.
What is the InChIKey of 2-[acetyl(butyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide?
The InChIKey is PWKSTVWETRLSRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O3/c1-5-6-7-19(12(3)20)10-16(21)18-14-8-11(2)13(17)9-15(14)22-4/h8-9H,5-7,10H2,1-4H3,(H,18,21).
What are the key properties of 2-[acetyl(butyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide?
2-[acetyl(butyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide has a molecular weight of 326.82 g/mol, XLogP of 3.24, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(butyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide is sourced from PubChem (CID 113158798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).