2-(4-chlorophenoxy)-N-[(3,4-diethoxyphenyl)methyl]butanamide

C21H26ClNO4 — CID 132659523

IUPAC2-(4-chlorophenoxy)-N-[(3,4-diethoxyphenyl)methyl]butanamide
SMILESCCOc1ccc(CNC(=O)C(CC)Oc2ccc(Cl)cc2)cc1OCC
InChIInChI=1S/C21H26ClNO4/c1-4-18(27-17-10-8-16(22)9-11-17)21(24)23-14-15-7-12-19(25-5-2)20(13-15)26-6-3/h7-13,18H,4-6,14H2,1-3H3,(H,23,24)
InChIKeyGCSAVVLVYYXKFT-UHFFFAOYSA-N
MW391.90 g/mol
LogP4.61
Rot. Bonds10

About 2-(4-chlorophenoxy)-N-[(3,4-diethoxyphenyl)methyl]butanamide

2-(4-chlorophenoxy)-N-[(3,4-diethoxyphenyl)methyl]butanamide (PubChem CID 132659523) has the molecular formula C21H26ClNO4 and a molecular weight of 391.90 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[(3,4-diethoxyphenyl)methyl]butanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[(3,4-diethoxyphenyl)methyl]butanamide
PubChem CID132659523
Molecular FormulaC21H26ClNO4
Molecular Weight391.90 g/mol
Exact Mass391.16
IUPAC Name2-(4-chlorophenoxy)-N-[(3,4-diethoxyphenyl)methyl]butanamide
SMILESCCOc1ccc(CNC(=O)C(CC)Oc2ccc(Cl)cc2)cc1OCC
InChIInChI=1S/C21H26ClNO4/c1-4-18(27-17-10-8-16(22)9-11-17)21(24)23-14-15-7-12-19(25-5-2)20(13-15)26-6-3/h7-13,18H,4-6,14H2,1-3H3,(H,23,24)
InChIKeyGCSAVVLVYYXKFT-UHFFFAOYSA-N
XLogP4.61
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.90
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-chlorophenoxy)-N-[(3,4-diethoxyphenyl)methyl]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

(2S)-2-(4-chlorophenoxy)-N-[(3,4-dimethoxyphenyl)methyl]butanamide
CID 29419335
N-[(3,4-diethoxyphenyl)methyl]-2-(3,4-dimethylphenoxy)butanamide
CID 43876756
(2R)-2-(4-chlorophenoxy)-N-[(3-ethoxyphenyl)methyl]butanamide
CID 99131710
2-(4-chlorophenoxy)-N-(naphthalen-2-ylmethyl)butanamide
CID 133218872
(2R)-2-(4-chlorophenoxy)-N-[(4-methylphenyl)methyl]butanamide
CID 9173431
N-benzyl-2-(4-chlorophenoxy)butanamide
CID 13232190
(2S)-N-[(4-chlorophenyl)methyl]-2-naphthalen-2-yloxybutanamide
CID 99131305
(2S)-2-(4-chlorophenoxy)-N-(pyridin-4-ylmethyl)butanamide
CID 7450116
N-[(4-ethoxyphenyl)methyl]-2-(4-ethylphenoxy)butanamide
CID 53288894
(2R)-N-[(3-ethoxyphenyl)methyl]-2-(4-ethylphenoxy)butanamide
CID 99133064
(2S)-2-(4-chloro-3-methylphenoxy)-N-[(4-ethoxyphenyl)methyl]butanamide
CID 99133193
2-(4-chloro-3-methylphenoxy)-N-[(4-ethoxyphenyl)methyl]butanamide
CID 53289034

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[(3,4-diethoxyphenyl)methyl]butanamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[(3,4-diethoxyphenyl)methyl]butanamide (CID 132659523) is 2-(4-chlorophenoxy)-N-[(3,4-diethoxyphenyl)methyl]butanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[(3,4-diethoxyphenyl)methyl]butanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[(3,4-diethoxyphenyl)methyl]butanamide is CCOc1ccc(CNC(=O)C(CC)Oc2ccc(Cl)cc2)cc1OCC.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[(3,4-diethoxyphenyl)methyl]butanamide?
The InChIKey is GCSAVVLVYYXKFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClNO4/c1-4-18(27-17-10-8-16(22)9-11-17)21(24)23-14-15-7-12-19(25-5-2)20(13-15)26-6-3/h7-13,18H,4-6,14H2,1-3H3,(H,23,24).
What are the key properties of 2-(4-chlorophenoxy)-N-[(3,4-diethoxyphenyl)methyl]butanamide?
2-(4-chlorophenoxy)-N-[(3,4-diethoxyphenyl)methyl]butanamide has a molecular weight of 391.90 g/mol, XLogP of 4.61, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[(3,4-diethoxyphenyl)methyl]butanamide is sourced from PubChem (CID 132659523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).