N-[1-(3,4-diethoxyphenyl)ethyl]-3-(methoxymethyl)benzamide

C21H27NO4 — CID 78808076

IUPACN-[1-(3,4-diethoxyphenyl)ethyl]-3-(methoxymethyl)benzamide
SMILESCCOc1ccc(C(C)NC(=O)c2cccc(COC)c2)cc1OCC
InChIInChI=1S/C21H27NO4/c1-5-25-19-11-10-17(13-20(19)26-6-2)15(3)22-21(23)18-9-7-8-16(12-18)14-24-4/h7-13,15H,5-6,14H2,1-4H3,(H,22,23)
InChIKeyIZESTZWCLOYIBS-UHFFFAOYSA-N
MW357.45 g/mol
LogP4.12
Rot. Bonds9

About N-[1-(3,4-diethoxyphenyl)ethyl]-3-(methoxymethyl)benzamide

N-[1-(3,4-diethoxyphenyl)ethyl]-3-(methoxymethyl)benzamide (PubChem CID 78808076) has the molecular formula C21H27NO4 and a molecular weight of 357.45 g/mol. Its IUPAC name is N-[1-(3,4-diethoxyphenyl)ethyl]-3-(methoxymethyl)benzamide.

Molecular Properties

Compound NameN-[1-(3,4-diethoxyphenyl)ethyl]-3-(methoxymethyl)benzamide
PubChem CID78808076
Molecular FormulaC21H27NO4
Molecular Weight357.45 g/mol
Exact Mass357.19
IUPAC NameN-[1-(3,4-diethoxyphenyl)ethyl]-3-(methoxymethyl)benzamide
SMILESCCOc1ccc(C(C)NC(=O)c2cccc(COC)c2)cc1OCC
InChIInChI=1S/C21H27NO4/c1-5-25-19-11-10-17(13-20(19)26-6-2)15(3)22-21(23)18-9-7-8-16(12-18)14-24-4/h7-13,15H,5-6,14H2,1-4H3,(H,22,23)
InChIKeyIZESTZWCLOYIBS-UHFFFAOYSA-N
XLogP4.12
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-(3,4-diethoxyphenyl)ethyl]-3-(methoxymethyl)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-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-4-(methoxymethyl)benzamide
CID 8620540
N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-3-iodobenzamide
CID 27136904
N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-3-(trifluoromethyl)benzamide
CID 7936459
N-[1-(3,4-diethoxyphenyl)ethyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 55407060
N-[1-(3,4-diethoxyphenyl)ethyl]-5-(methoxymethyl)furan-2-carboxamide
CID 78824780
(2S)-2-[[3-(methoxymethyl)benzoyl]amino]-3-methylpentanoic acid
CID 61172026
N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-3,5-dimethylbenzamide
CID 7936483
3,4-diethoxy-N-(1-phenylethyl)benzamide
CID 3369950
N-[1-[1-(3,4-diethoxyphenyl)ethylamino]-1-oxopropan-2-yl]-3-methylbenzamide
CID 78771810
N-[1-(3,4-diethoxyphenyl)ethyl]-3,4-difluorobenzamide
CID 43022798
4-bromo-N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]benzamide
CID 2450618
2,6-dichloro-N-[1-(3,4-diethoxyphenyl)ethyl]benzamide
CID 112791671

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-diethoxyphenyl)ethyl]-3-(methoxymethyl)benzamide?
The IUPAC name of N-[1-(3,4-diethoxyphenyl)ethyl]-3-(methoxymethyl)benzamide (CID 78808076) is N-[1-(3,4-diethoxyphenyl)ethyl]-3-(methoxymethyl)benzamide.
What is the SMILES notation for N-[1-(3,4-diethoxyphenyl)ethyl]-3-(methoxymethyl)benzamide?
The canonical SMILES for N-[1-(3,4-diethoxyphenyl)ethyl]-3-(methoxymethyl)benzamide is CCOc1ccc(C(C)NC(=O)c2cccc(COC)c2)cc1OCC.
What is the InChIKey of N-[1-(3,4-diethoxyphenyl)ethyl]-3-(methoxymethyl)benzamide?
The InChIKey is IZESTZWCLOYIBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO4/c1-5-25-19-11-10-17(13-20(19)26-6-2)15(3)22-21(23)18-9-7-8-16(12-18)14-24-4/h7-13,15H,5-6,14H2,1-4H3,(H,22,23).
What are the key properties of N-[1-(3,4-diethoxyphenyl)ethyl]-3-(methoxymethyl)benzamide?
N-[1-(3,4-diethoxyphenyl)ethyl]-3-(methoxymethyl)benzamide has a molecular weight of 357.45 g/mol, XLogP of 4.12, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-diethoxyphenyl)ethyl]-3-(methoxymethyl)benzamide is sourced from PubChem (CID 78808076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).