N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-2-(4-methylphenoxy)butanamide

C20H24ClNO4 — CID 54785489

IUPACN-[(2-chloro-4,5-dimethoxyphenyl)methyl]-2-(4-methylphenoxy)butanamide
SMILESCCC(Oc1ccc(C)cc1)C(=O)NCc1cc(OC)c(OC)cc1Cl
InChIInChI=1S/C20H24ClNO4/c1-5-17(26-15-8-6-13(2)7-9-15)20(23)22-12-14-10-18(24-3)19(25-4)11-16(14)21/h6-11,17H,5,12H2,1-4H3,(H,22,23)
InChIKeyZQJMHTUMNXJVIQ-UHFFFAOYSA-N
MW377.87 g/mol
LogP4.14
Rot. Bonds8

About N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-2-(4-methylphenoxy)butanamide

N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-2-(4-methylphenoxy)butanamide (PubChem CID 54785489) has the molecular formula C20H24ClNO4 and a molecular weight of 377.87 g/mol. Its IUPAC name is N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-2-(4-methylphenoxy)butanamide.

Molecular Properties

Compound NameN-[(2-chloro-4,5-dimethoxyphenyl)methyl]-2-(4-methylphenoxy)butanamide
PubChem CID54785489
Molecular FormulaC20H24ClNO4
Molecular Weight377.87 g/mol
Exact Mass377.14
IUPAC NameN-[(2-chloro-4,5-dimethoxyphenyl)methyl]-2-(4-methylphenoxy)butanamide
SMILESCCC(Oc1ccc(C)cc1)C(=O)NCc1cc(OC)c(OC)cc1Cl
InChIInChI=1S/C20H24ClNO4/c1-5-17(26-15-8-6-13(2)7-9-15)20(23)22-12-14-10-18(24-3)19(25-4)11-16(14)21/h6-11,17H,5,12H2,1-4H3,(H,22,23)
InChIKeyZQJMHTUMNXJVIQ-UHFFFAOYSA-N
XLogP4.14
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.87
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-2-(4-methylphenoxy)butanamide 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-chloro-4,5-dimethoxyphenyl)methyl]-2-phenoxybutanamide
CID 54785530
N-[(2,4-dichlorophenyl)methyl]-2-(4-methylphenoxy)butanamide
CID 54776466
N-[(2-methoxyphenyl)methyl]-2-(4-methylphenoxy)butanamide
CID 53286332
2-(4-methoxyphenoxy)-N-[(4-methylphenyl)methyl]butanamide
CID 21368209
(2S)-2-(4-chlorophenoxy)-N-[(3,4-dimethoxyphenyl)methyl]butanamide
CID 29419335
(2R)-2-(4-chlorophenoxy)-N-[(4-methylphenyl)methyl]butanamide
CID 9173431
(2S)-2-(4-methylphenoxy)-N-[2-[[(2S)-2-(4-methylphenoxy)butanoyl]amino]ethyl]butanamide
CID 40796762
2-(4-chloro-3-methylphenoxy)-N-[(4-methylphenyl)methyl]butanamide
CID 13232165
N-[3-(2-methoxyphenyl)propyl]-2-(4-methylphenoxy)butanamide
CID 132652282
(2S)-N-[(2,4-dichlorophenyl)methyl]-2-(4-fluorophenoxy)butanamide
CID 99956967
2-(4-chloro-3-methylphenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]butanamide
CID 132663080
(2R)-N-[(2-chlorophenyl)methyl]-2-(3-methoxyphenoxy)butanamide
CID 94019358

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-2-(4-methylphenoxy)butanamide?
The IUPAC name of N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-2-(4-methylphenoxy)butanamide (CID 54785489) is N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-2-(4-methylphenoxy)butanamide.
What is the SMILES notation for N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-2-(4-methylphenoxy)butanamide?
The canonical SMILES for N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-2-(4-methylphenoxy)butanamide is CCC(Oc1ccc(C)cc1)C(=O)NCc1cc(OC)c(OC)cc1Cl.
What is the InChIKey of N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-2-(4-methylphenoxy)butanamide?
The InChIKey is ZQJMHTUMNXJVIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClNO4/c1-5-17(26-15-8-6-13(2)7-9-15)20(23)22-12-14-10-18(24-3)19(25-4)11-16(14)21/h6-11,17H,5,12H2,1-4H3,(H,22,23).
What are the key properties of N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-2-(4-methylphenoxy)butanamide?
N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-2-(4-methylphenoxy)butanamide has a molecular weight of 377.87 g/mol, XLogP of 4.14, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-2-(4-methylphenoxy)butanamide is sourced from PubChem (CID 54785489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).