2,3-dimethoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide

C18H21NO4 — CID 35509323

IUPAC2,3-dimethoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide
SMILESCOc1ccc(CCNC(=O)c2cccc(OC)c2OC)cc1
InChIInChI=1S/C18H21NO4/c1-21-14-9-7-13(8-10-14)11-12-19-18(20)15-5-4-6-16(22-2)17(15)23-3/h4-10H,11-12H2,1-3H3,(H,19,20)
InChIKeyRCNZERHHPNKBBH-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.68
Rot. Bonds7

About 2,3-dimethoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide

2,3-dimethoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide (PubChem CID 35509323) has the molecular formula C18H21NO4 and a molecular weight of 315.37 g/mol. Its IUPAC name is 2,3-dimethoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name2,3-dimethoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide
PubChem CID35509323
Molecular FormulaC18H21NO4
Molecular Weight315.37 g/mol
Exact Mass315.15
IUPAC Name2,3-dimethoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide
SMILESCOc1ccc(CCNC(=O)c2cccc(OC)c2OC)cc1
InChIInChI=1S/C18H21NO4/c1-21-14-9-7-13(8-10-14)11-12-19-18(20)15-5-4-6-16(22-2)17(15)23-3/h4-10H,11-12H2,1-3H3,(H,19,20)
InChIKeyRCNZERHHPNKBBH-UHFFFAOYSA-N
XLogP2.68
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[2-[(2,3-dimethoxybenzoyl)amino]ethyl]phenoxy]acetic acid
CID 119255472
4-[2-[(2,3-dimethoxybenzoyl)amino]ethyl]benzoic acid
CID 45347542
N-[2-(4-methoxyphenyl)ethyl]naphthalene-1-carboxamide
CID 2231008
N-[2-[4-(azepan-1-yl)phenyl]ethyl]-2,3-dimethoxybenzamide
CID 16889313
2,3-dimethoxy-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide
CID 55434413
N-[2-(4-ethylphenoxy)ethyl]-2,3-dimethoxybenzamide
CID 100531701
2,5-dimethoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 18189798
N-[2-(4-methoxyphenyl)ethyl]-2-sulfanylbenzamide
CID 103601610
2-bromo-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 699177
N-[2-(4-methoxyphenyl)ethyl]-2,4,5-trimethylbenzamide
CID 100708090
N-(4-hydroxybutyl)-2,3-dimethoxybenzamide
CID 106843372
N-(3-iodopropyl)-2,3-dimethoxybenzamide
CID 114504514

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide?
The IUPAC name of 2,3-dimethoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide (CID 35509323) is 2,3-dimethoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide.
What is the SMILES notation for 2,3-dimethoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide?
The canonical SMILES for 2,3-dimethoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide is COc1ccc(CCNC(=O)c2cccc(OC)c2OC)cc1.
What is the InChIKey of 2,3-dimethoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide?
The InChIKey is RCNZERHHPNKBBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4/c1-21-14-9-7-13(8-10-14)11-12-19-18(20)15-5-4-6-16(22-2)17(15)23-3/h4-10H,11-12H2,1-3H3,(H,19,20).
What are the key properties of 2,3-dimethoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide?
2,3-dimethoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide has a molecular weight of 315.37 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide is sourced from PubChem (CID 35509323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).