2-(3,4-dimethoxyphenyl)-N-[4-(4-methoxyphenyl)butyl]acetamide

C21H27NO4 — CID 110288813

IUPAC2-(3,4-dimethoxyphenyl)-N-[4-(4-methoxyphenyl)butyl]acetamide
SMILESCOc1ccc(CCCCNC(=O)Cc2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C21H27NO4/c1-24-18-10-7-16(8-11-18)6-4-5-13-22-21(23)15-17-9-12-19(25-2)20(14-17)26-3/h7-12,14H,4-6,13,15H2,1-3H3,(H,22,23)
InChIKeySRSQPELWCMMAPM-UHFFFAOYSA-N
MW357.45 g/mol
LogP3.39
Rot. Bonds10

About 2-(3,4-dimethoxyphenyl)-N-[4-(4-methoxyphenyl)butyl]acetamide

2-(3,4-dimethoxyphenyl)-N-[4-(4-methoxyphenyl)butyl]acetamide (PubChem CID 110288813) has the molecular formula C21H27NO4 and a molecular weight of 357.45 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-[4-(4-methoxyphenyl)butyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-[4-(4-methoxyphenyl)butyl]acetamide
PubChem CID110288813
Molecular FormulaC21H27NO4
Molecular Weight357.45 g/mol
Exact Mass357.19
IUPAC Name2-(3,4-dimethoxyphenyl)-N-[4-(4-methoxyphenyl)butyl]acetamide
SMILESCOc1ccc(CCCCNC(=O)Cc2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C21H27NO4/c1-24-18-10-7-16(8-11-18)6-4-5-13-22-21(23)15-17-9-12-19(25-2)20(14-17)26-3/h7-12,14H,4-6,13,15H2,1-3H3,(H,22,23)
InChIKeySRSQPELWCMMAPM-UHFFFAOYSA-N
XLogP3.39
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3,4-dimethoxyphenyl)-N-[3-(methylamino)propyl]acetamide
CID 43600817
2-[(3,4-dimethoxyphenyl)methyl]-1-[4-(4-methoxyphenyl)butyl]guanidine
CID 111975475
2-(3,4-dimethoxyphenyl)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 7336900
N-[2-(4-methoxyphenyl)ethyl]-2-(2,4,5-trimethoxyphenyl)acetamide
CID 134090189
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 51290944
2-(3-bromophenyl)-N-[3-(3,4-dimethoxyphenyl)propyl]acetamide
CID 99609358
N-[2-[(2-chloroacetyl)amino]ethyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 108575225
4-(3,4-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]butanamide
CID 110410210
2-(3,4-dimethoxyphenyl)-N-[2-[4-(dimethylamino)phenyl]ethyl]acetamide
CID 16889439
[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 2556389
N-[3-(3,4-dimethoxyphenyl)propyl]-2-(4-methoxyphenoxy)propanamide
CID 48586822
3-(4-methoxyphenyl)-N-[8-[3-(4-methoxyphenyl)propanoylamino]octyl]propanamide
CID 4661025

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[4-(4-methoxyphenyl)butyl]acetamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[4-(4-methoxyphenyl)butyl]acetamide (CID 110288813) is 2-(3,4-dimethoxyphenyl)-N-[4-(4-methoxyphenyl)butyl]acetamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-[4-(4-methoxyphenyl)butyl]acetamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-[4-(4-methoxyphenyl)butyl]acetamide is COc1ccc(CCCCNC(=O)Cc2ccc(OC)c(OC)c2)cc1.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-[4-(4-methoxyphenyl)butyl]acetamide?
The InChIKey is SRSQPELWCMMAPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO4/c1-24-18-10-7-16(8-11-18)6-4-5-13-22-21(23)15-17-9-12-19(25-2)20(14-17)26-3/h7-12,14H,4-6,13,15H2,1-3H3,(H,22,23).
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-[4-(4-methoxyphenyl)butyl]acetamide?
2-(3,4-dimethoxyphenyl)-N-[4-(4-methoxyphenyl)butyl]acetamide has a molecular weight of 357.45 g/mol, XLogP of 3.39, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-[4-(4-methoxyphenyl)butyl]acetamide is sourced from PubChem (CID 110288813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).