N-[(4-butoxy-3-methoxyphenyl)methyl]-2,4-dimethoxybenzamide

C21H27NO5 — CID 39971385

IUPACN-[(4-butoxy-3-methoxyphenyl)methyl]-2,4-dimethoxybenzamide
SMILESCCCCOc1ccc(CNC(=O)c2ccc(OC)cc2OC)cc1OC
InChIInChI=1S/C21H27NO5/c1-5-6-11-27-18-10-7-15(12-20(18)26-4)14-22-21(23)17-9-8-16(24-2)13-19(17)25-3/h7-10,12-13H,5-6,11,14H2,1-4H3,(H,22,23)
InChIKeyWHUNMUCSBDHUCI-UHFFFAOYSA-N
MW373.45 g/mol
LogP3.82
Rot. Bonds10

About N-[(4-butoxy-3-methoxyphenyl)methyl]-2,4-dimethoxybenzamide

N-[(4-butoxy-3-methoxyphenyl)methyl]-2,4-dimethoxybenzamide (PubChem CID 39971385) has the molecular formula C21H27NO5 and a molecular weight of 373.45 g/mol. Its IUPAC name is N-[(4-butoxy-3-methoxyphenyl)methyl]-2,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[(4-butoxy-3-methoxyphenyl)methyl]-2,4-dimethoxybenzamide
PubChem CID39971385
Molecular FormulaC21H27NO5
Molecular Weight373.45 g/mol
Exact Mass373.19
IUPAC NameN-[(4-butoxy-3-methoxyphenyl)methyl]-2,4-dimethoxybenzamide
SMILESCCCCOc1ccc(CNC(=O)c2ccc(OC)cc2OC)cc1OC
InChIInChI=1S/C21H27NO5/c1-5-6-11-27-18-10-7-15(12-20(18)26-4)14-22-21(23)17-9-8-16(24-2)13-19(17)25-3/h7-10,12-13H,5-6,11,14H2,1-4H3,(H,22,23)
InChIKeyWHUNMUCSBDHUCI-UHFFFAOYSA-N
XLogP3.82
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[(4-butoxy-3-methoxyphenyl)methyl]-2,4-dimethoxybenzamide 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-[(4-butoxy-3-methoxyphenyl)methyl]-2-(2,4-dimethoxyphenyl)acetamide
CID 39971219
N-[(4-butoxy-3-methoxyphenyl)methyl]-2-hydroxybenzamide
CID 39971450
N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-fluoro-4-methoxybenzamide
CID 86981597
4-decoxy-N-[(1-ethylpyridin-1-ium-4-yl)methyl]-2-methoxybenzamide
CID 19016436
N-[(4-butoxy-3-methoxyphenyl)methyl]-2-methoxy-5-nitrobenzamide
CID 39971109
2-bromo-N-[(4-butoxy-3-methoxyphenyl)methyl]acetamide
CID 112547109
4-hexoxy-N-[(3-methoxy-4-propoxyphenyl)methyl]benzamide
CID 54776997
N-[(3-methoxy-4-propoxyphenyl)methyl]-4-propoxybenzamide
CID 54777018
N-[(4-butoxy-3-methoxyphenyl)methyl]-5-methoxy-4-(2-methoxyethoxy)-2-nitrobenzamide
CID 55706342
5-bromo-2-butoxy-N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]benzamide
CID 54776790
5-bromo-2-butoxy-N-[(4-methoxyphenyl)methyl]benzamide
CID 17230348
N-[2-(3,4-diethoxyphenyl)ethyl]-2,4-dimethoxybenzamide
CID 9474056

Frequently Asked Questions

What is the IUPAC name of N-[(4-butoxy-3-methoxyphenyl)methyl]-2,4-dimethoxybenzamide?
The IUPAC name of N-[(4-butoxy-3-methoxyphenyl)methyl]-2,4-dimethoxybenzamide (CID 39971385) is N-[(4-butoxy-3-methoxyphenyl)methyl]-2,4-dimethoxybenzamide.
What is the SMILES notation for N-[(4-butoxy-3-methoxyphenyl)methyl]-2,4-dimethoxybenzamide?
The canonical SMILES for N-[(4-butoxy-3-methoxyphenyl)methyl]-2,4-dimethoxybenzamide is CCCCOc1ccc(CNC(=O)c2ccc(OC)cc2OC)cc1OC.
What is the InChIKey of N-[(4-butoxy-3-methoxyphenyl)methyl]-2,4-dimethoxybenzamide?
The InChIKey is WHUNMUCSBDHUCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO5/c1-5-6-11-27-18-10-7-15(12-20(18)26-4)14-22-21(23)17-9-8-16(24-2)13-19(17)25-3/h7-10,12-13H,5-6,11,14H2,1-4H3,(H,22,23).
What are the key properties of N-[(4-butoxy-3-methoxyphenyl)methyl]-2,4-dimethoxybenzamide?
N-[(4-butoxy-3-methoxyphenyl)methyl]-2,4-dimethoxybenzamide has a molecular weight of 373.45 g/mol, XLogP of 3.82, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-butoxy-3-methoxyphenyl)methyl]-2,4-dimethoxybenzamide is sourced from PubChem (CID 39971385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).