3,4-dimethoxy-N-[1-(3-methoxy-4-pentoxyphenyl)ethyl]benzamide

C23H31NO5 — CID 55747285

IUPAC3,4-dimethoxy-N-[1-(3-methoxy-4-pentoxyphenyl)ethyl]benzamide
SMILESCCCCCOc1ccc(C(C)NC(=O)c2ccc(OC)c(OC)c2)cc1OC
InChIInChI=1S/C23H31NO5/c1-6-7-8-13-29-20-12-9-17(14-22(20)28-5)16(2)24-23(25)18-10-11-19(26-3)21(15-18)27-4/h9-12,14-16H,6-8,13H2,1-5H3,(H,24,25)
InChIKeySIEDUGDEORSNSO-UHFFFAOYSA-N
MW401.50 g/mol
LogP4.77
Rot. Bonds11

About 3,4-dimethoxy-N-[1-(3-methoxy-4-pentoxyphenyl)ethyl]benzamide

3,4-dimethoxy-N-[1-(3-methoxy-4-pentoxyphenyl)ethyl]benzamide (PubChem CID 55747285) has the molecular formula C23H31NO5 and a molecular weight of 401.50 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[1-(3-methoxy-4-pentoxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[1-(3-methoxy-4-pentoxyphenyl)ethyl]benzamide
PubChem CID55747285
Molecular FormulaC23H31NO5
Molecular Weight401.50 g/mol
Exact Mass401.22
IUPAC Name3,4-dimethoxy-N-[1-(3-methoxy-4-pentoxyphenyl)ethyl]benzamide
SMILESCCCCCOc1ccc(C(C)NC(=O)c2ccc(OC)c(OC)c2)cc1OC
InChIInChI=1S/C23H31NO5/c1-6-7-8-13-29-20-12-9-17(14-22(20)28-5)16(2)24-23(25)18-10-11-19(26-3)21(15-18)27-4/h9-12,14-16H,6-8,13H2,1-5H3,(H,24,25)
InChIKeySIEDUGDEORSNSO-UHFFFAOYSA-N
XLogP4.77
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.50
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3,4-dimethoxy-N-[1-(3-methoxy-4-pentoxyphenyl)ethyl]benzamide 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-[1-(3-methoxy-4-pentoxyphenyl)ethyl]-1-methylpyrazole-4-carboxamide
CID 86995231
4-[1-(4-butoxy-3-methoxyphenyl)ethylcarbamoyl]pyridine-2-carboxylic acid
CID 119181722
N-[1-(3-methoxy-4-tetradecoxyphenyl)ethyl]-1-methylpyridin-1-ium-2-carboxamide
CID 19016217
3,4-dipentoxy-N-propan-2-ylbenzamide
CID 3575779
(2S)-2-amino-N-[1-(3-methoxy-4-pentoxyphenyl)ethyl]-3,3-dimethylbutanamide
CID 119722950
4-hexoxy-3-methoxy-N-(1-pyridin-2-ylethyl)benzamide
CID 55334786
N-[1-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-3-methylbenzamide
CID 43874097
(2S)-2-amino-N-[1-(3-methoxy-4-pentoxyphenyl)ethyl]-3,3-dimethylbutanamide;hydrochloride
CID 119722949
4-fluoro-N-[[(4-fluorobenzoyl)amino]-(4-heptoxy-3-methoxyphenyl)methyl]benzamide
CID 18839438
4-bromo-N-[[(4-bromobenzoyl)amino]-(4-heptoxy-3-methoxyphenyl)methyl]benzamide
CID 5209328
4-chloro-N-[[(4-chlorobenzoyl)amino]-(3-methoxy-4-nonoxyphenyl)methyl]benzamide
CID 18839362
N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-3,5-dimethylbenzamide
CID 55748439

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[1-(3-methoxy-4-pentoxyphenyl)ethyl]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[1-(3-methoxy-4-pentoxyphenyl)ethyl]benzamide (CID 55747285) is 3,4-dimethoxy-N-[1-(3-methoxy-4-pentoxyphenyl)ethyl]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[1-(3-methoxy-4-pentoxyphenyl)ethyl]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[1-(3-methoxy-4-pentoxyphenyl)ethyl]benzamide is CCCCCOc1ccc(C(C)NC(=O)c2ccc(OC)c(OC)c2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[1-(3-methoxy-4-pentoxyphenyl)ethyl]benzamide?
The InChIKey is SIEDUGDEORSNSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO5/c1-6-7-8-13-29-20-12-9-17(14-22(20)28-5)16(2)24-23(25)18-10-11-19(26-3)21(15-18)27-4/h9-12,14-16H,6-8,13H2,1-5H3,(H,24,25).
What are the key properties of 3,4-dimethoxy-N-[1-(3-methoxy-4-pentoxyphenyl)ethyl]benzamide?
3,4-dimethoxy-N-[1-(3-methoxy-4-pentoxyphenyl)ethyl]benzamide has a molecular weight of 401.50 g/mol, XLogP of 4.77, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[1-(3-methoxy-4-pentoxyphenyl)ethyl]benzamide is sourced from PubChem (CID 55747285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).