N-(4-chloro-2,5-dimethoxyphenyl)-2-methylpentanamide

C14H20ClNO3 — CID 2903868

IUPACN-(4-chloro-2,5-dimethoxyphenyl)-2-methylpentanamide
SMILESCCCC(C)C(=O)Nc1cc(OC)c(Cl)cc1OC
InChIInChI=1S/C14H20ClNO3/c1-5-6-9(2)14(17)16-11-8-12(18-3)10(15)7-13(11)19-4/h7-9H,5-6H2,1-4H3,(H,16,17)
InChIKeyUHDFJTGUWFNEND-UHFFFAOYSA-N
MW285.77 g/mol
LogP3.73
Rot. Bonds6

About N-(4-chloro-2,5-dimethoxyphenyl)-2-methylpentanamide

N-(4-chloro-2,5-dimethoxyphenyl)-2-methylpentanamide (PubChem CID 2903868) has the molecular formula C14H20ClNO3 and a molecular weight of 285.77 g/mol. Its IUPAC name is N-(4-chloro-2,5-dimethoxyphenyl)-2-methylpentanamide.

Molecular Properties

Compound NameN-(4-chloro-2,5-dimethoxyphenyl)-2-methylpentanamide
PubChem CID2903868
Molecular FormulaC14H20ClNO3
Molecular Weight285.77 g/mol
Exact Mass285.11
IUPAC NameN-(4-chloro-2,5-dimethoxyphenyl)-2-methylpentanamide
SMILESCCCC(C)C(=O)Nc1cc(OC)c(Cl)cc1OC
InChIInChI=1S/C14H20ClNO3/c1-5-6-9(2)14(17)16-11-8-12(18-3)10(15)7-13(11)19-4/h7-9H,5-6H2,1-4H3,(H,16,17)
InChIKeyUHDFJTGUWFNEND-UHFFFAOYSA-N
XLogP3.73
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(4-chloro-2,5-dimethoxyphenyl)-2-methylpentanamide 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

(2S)-2-amino-N-(4-chloro-2,5-dimethoxyphenyl)pentanamide
CID 107567961
2-amino-N-(4-chloro-2,5-dimethoxyphenyl)hexanamide
CID 60853463
2-bromo-N-(4-chloro-2,5-dimethoxyphenyl)propanamide
CID 107902838
N-[2,5-dimethoxy-4-(2-methylpentanoylamino)phenyl]benzamide
CID 4035607
2-(aminomethyl)-N-(4-chloro-2,5-dimethoxyphenyl)-3-methylbutanamide
CID 65225475
5-amino-N-(4-chloro-2-methoxy-5-methylphenyl)-2-methylpentanamide
CID 104683435
2-amino-N-(4-chloro-2,5-dimethoxyphenyl)-3-methoxypropanamide
CID 81081918
3-amino-N-(5-chloro-2-methoxy-4-methylphenyl)-2-methylpropanamide
CID 115153476
(2S,3S)-2-amino-N-(5-chloro-2,4-dimethoxyphenyl)-3-methylpentanamide
CID 28515111
N-(4-cyano-2-methoxyphenyl)-2-methylpentanamide
CID 104848955
(2R)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-methylpentanamide
CID 8838802
1-amino-3-(4-chloro-2,5-dimethoxyphenyl)urea
CID 43163908

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-2-methylpentanamide?
The IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-2-methylpentanamide (CID 2903868) is N-(4-chloro-2,5-dimethoxyphenyl)-2-methylpentanamide.
What is the SMILES notation for N-(4-chloro-2,5-dimethoxyphenyl)-2-methylpentanamide?
The canonical SMILES for N-(4-chloro-2,5-dimethoxyphenyl)-2-methylpentanamide is CCCC(C)C(=O)Nc1cc(OC)c(Cl)cc1OC.
What is the InChIKey of N-(4-chloro-2,5-dimethoxyphenyl)-2-methylpentanamide?
The InChIKey is UHDFJTGUWFNEND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO3/c1-5-6-9(2)14(17)16-11-8-12(18-3)10(15)7-13(11)19-4/h7-9H,5-6H2,1-4H3,(H,16,17).
What are the key properties of N-(4-chloro-2,5-dimethoxyphenyl)-2-methylpentanamide?
N-(4-chloro-2,5-dimethoxyphenyl)-2-methylpentanamide has a molecular weight of 285.77 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2,5-dimethoxyphenyl)-2-methylpentanamide is sourced from PubChem (CID 2903868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).