N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-2-methylbenzamide

C22H29NO3 — CID 46649898

IUPACN-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-2-methylbenzamide
SMILESCCOc1ccc(C(NC(=O)c2ccccc2C)C(C)C)cc1OCC
InChIInChI=1S/C22H29NO3/c1-6-25-19-13-12-17(14-20(19)26-7-2)21(15(3)4)23-22(24)18-11-9-8-10-16(18)5/h8-15,21H,6-7H2,1-5H3,(H,23,24)
InChIKeyWGLZVJMUFYLDDP-UHFFFAOYSA-N
MW355.48 g/mol
LogP4.92
Rot. Bonds8

About N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-2-methylbenzamide

N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-2-methylbenzamide (PubChem CID 46649898) has the molecular formula C22H29NO3 and a molecular weight of 355.48 g/mol. Its IUPAC name is N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-2-methylbenzamide
PubChem CID46649898
Molecular FormulaC22H29NO3
Molecular Weight355.48 g/mol
Exact Mass355.21
IUPAC NameN-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-2-methylbenzamide
SMILESCCOc1ccc(C(NC(=O)c2ccccc2C)C(C)C)cc1OCC
InChIInChI=1S/C22H29NO3/c1-6-25-19-13-12-17(14-20(19)26-7-2)21(15(3)4)23-22(24)18-11-9-8-10-16(18)5/h8-15,21H,6-7H2,1-5H3,(H,23,24)
InChIKeyWGLZVJMUFYLDDP-UHFFFAOYSA-N
XLogP4.92
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-2-methylbenzamide 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-[1-(3,4-diethoxyphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide
CID 43011675
N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]furan-2-carboxamide
CID 51262699
N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-1-oxidopyridin-1-ium-2-carboxamide
CID 60551019
N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 51262709
N-(3,4-diethoxyphenyl)-2-methylbenzamide
CID 26212680
3-cyano-N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]benzamide
CID 55447660
N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-3-methylsulfonylbenzamide
CID 55447557
N-[(Z)-3-[[(1R)-1-(3,4-diethoxyphenyl)ethyl]amino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-2-methylbenzamide
CID 100509416
N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119696392
N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-2-methylpent-2-enamide
CID 75896022
N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-2-(trifluoromethyl)benzamide
CID 2573137
N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 55447523

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-2-methylbenzamide?
The IUPAC name of N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-2-methylbenzamide (CID 46649898) is N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-2-methylbenzamide.
What is the SMILES notation for N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-2-methylbenzamide?
The canonical SMILES for N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-2-methylbenzamide is CCOc1ccc(C(NC(=O)c2ccccc2C)C(C)C)cc1OCC.
What is the InChIKey of N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-2-methylbenzamide?
The InChIKey is WGLZVJMUFYLDDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO3/c1-6-25-19-13-12-17(14-20(19)26-7-2)21(15(3)4)23-22(24)18-11-9-8-10-16(18)5/h8-15,21H,6-7H2,1-5H3,(H,23,24).
What are the key properties of N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-2-methylbenzamide?
N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-2-methylbenzamide has a molecular weight of 355.48 g/mol, XLogP of 4.92, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-2-methylbenzamide is sourced from PubChem (CID 46649898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).