2-(4-chloro-3,5-dimethylphenoxy)-N-[(3,4-diethoxyphenyl)methyl]propanamide

C22H28ClNO4 — CID 132662629

IUPAC2-(4-chloro-3,5-dimethylphenoxy)-N-[(3,4-diethoxyphenyl)methyl]propanamide
SMILESCCOc1ccc(CNC(=O)C(C)Oc2cc(C)c(Cl)c(C)c2)cc1OCC
InChIInChI=1S/C22H28ClNO4/c1-6-26-19-9-8-17(12-20(19)27-7-2)13-24-22(25)16(5)28-18-10-14(3)21(23)15(4)11-18/h8-12,16H,6-7,13H2,1-5H3,(H,24,25)
InChIKeyURDQDNLFZXKRAM-UHFFFAOYSA-N
MW405.92 g/mol
LogP4.84
Rot. Bonds9

About 2-(4-chloro-3,5-dimethylphenoxy)-N-[(3,4-diethoxyphenyl)methyl]propanamide

2-(4-chloro-3,5-dimethylphenoxy)-N-[(3,4-diethoxyphenyl)methyl]propanamide (PubChem CID 132662629) has the molecular formula C22H28ClNO4 and a molecular weight of 405.92 g/mol. Its IUPAC name is 2-(4-chloro-3,5-dimethylphenoxy)-N-[(3,4-diethoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name2-(4-chloro-3,5-dimethylphenoxy)-N-[(3,4-diethoxyphenyl)methyl]propanamide
PubChem CID132662629
Molecular FormulaC22H28ClNO4
Molecular Weight405.92 g/mol
Exact Mass405.17
IUPAC Name2-(4-chloro-3,5-dimethylphenoxy)-N-[(3,4-diethoxyphenyl)methyl]propanamide
SMILESCCOc1ccc(CNC(=O)C(C)Oc2cc(C)c(Cl)c(C)c2)cc1OCC
InChIInChI=1S/C22H28ClNO4/c1-6-26-19-9-8-17(12-20(19)27-7-2)13-24-22(25)16(5)28-18-10-14(3)21(23)15(4)11-18/h8-12,16H,6-7,13H2,1-5H3,(H,24,25)
InChIKeyURDQDNLFZXKRAM-UHFFFAOYSA-N
XLogP4.84
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.92
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-chloro-3,5-dimethylphenoxy)-N-[(3,4-diethoxyphenyl)methyl]propanamide 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-[(3,4-diethoxyphenyl)methyl]-2-(3,4-dimethylphenoxy)propanamide
CID 132655758
(2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-(4-chloro-3,5-dimethylphenoxy)propanamide
CID 1306650
N-[(3,4-diethoxyphenyl)methyl]-2-(2-ethylphenoxy)propanamide
CID 43907670
N-[(3,4-diethoxyphenyl)methyl]-2-(3,4-dimethylphenoxy)butanamide
CID 43876756
2-(4-chlorophenoxy)-N-[(3,4-diethoxyphenyl)methyl]butanamide
CID 132659523
2-(4-chloro-3,5-dimethylphenoxy)-N-[[3-(piperidin-1-ylmethyl)phenyl]methyl]propanamide
CID 133189337
2-(4-chloro-3,5-dimethylphenoxy)-N-(furan-2-ylmethyl)propanamide
CID 19191627
2-(4-chloro-3,5-dimethylphenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 133164196
1-[(4-chloro-3,5-dimethylphenoxy)methyl]-3-[2-(3,4-diethoxyphenyl)ethyl]urea
CID 108878076
N-[(4-chlorophenyl)methyl]-2-(3,5-dimethylphenoxy)propanamide
CID 24511209
(2S)-2-(2,4-dimethylphenoxy)-N-[(3-ethoxyphenyl)methyl]propanamide
CID 99132247
(2R)-2-(3-chlorophenoxy)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]propanamide
CID 93487462

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3,5-dimethylphenoxy)-N-[(3,4-diethoxyphenyl)methyl]propanamide?
The IUPAC name of 2-(4-chloro-3,5-dimethylphenoxy)-N-[(3,4-diethoxyphenyl)methyl]propanamide (CID 132662629) is 2-(4-chloro-3,5-dimethylphenoxy)-N-[(3,4-diethoxyphenyl)methyl]propanamide.
What is the SMILES notation for 2-(4-chloro-3,5-dimethylphenoxy)-N-[(3,4-diethoxyphenyl)methyl]propanamide?
The canonical SMILES for 2-(4-chloro-3,5-dimethylphenoxy)-N-[(3,4-diethoxyphenyl)methyl]propanamide is CCOc1ccc(CNC(=O)C(C)Oc2cc(C)c(Cl)c(C)c2)cc1OCC.
What is the InChIKey of 2-(4-chloro-3,5-dimethylphenoxy)-N-[(3,4-diethoxyphenyl)methyl]propanamide?
The InChIKey is URDQDNLFZXKRAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28ClNO4/c1-6-26-19-9-8-17(12-20(19)27-7-2)13-24-22(25)16(5)28-18-10-14(3)21(23)15(4)11-18/h8-12,16H,6-7,13H2,1-5H3,(H,24,25).
What are the key properties of 2-(4-chloro-3,5-dimethylphenoxy)-N-[(3,4-diethoxyphenyl)methyl]propanamide?
2-(4-chloro-3,5-dimethylphenoxy)-N-[(3,4-diethoxyphenyl)methyl]propanamide has a molecular weight of 405.92 g/mol, XLogP of 4.84, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3,5-dimethylphenoxy)-N-[(3,4-diethoxyphenyl)methyl]propanamide is sourced from PubChem (CID 132662629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).