N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2,3-dimethoxybenzamide

C20H26N2O4 — CID 45001541

IUPACN-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2,3-dimethoxybenzamide
SMILESCOc1cccc(C(CNC(=O)c2cccc(OC)c2OC)N(C)C)c1
InChIInChI=1S/C20H26N2O4/c1-22(2)17(14-8-6-9-15(12-14)24-3)13-21-20(23)16-10-7-11-18(25-4)19(16)26-5/h6-12,17H,13H2,1-5H3,(H,21,23)
InChIKeyNOGMFUNNSFLOLS-UHFFFAOYSA-N
MW358.44 g/mol
LogP2.75
Rot. Bonds8

About N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2,3-dimethoxybenzamide

N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2,3-dimethoxybenzamide (PubChem CID 45001541) has the molecular formula C20H26N2O4 and a molecular weight of 358.44 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2,3-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2,3-dimethoxybenzamide
PubChem CID45001541
Molecular FormulaC20H26N2O4
Molecular Weight358.44 g/mol
Exact Mass358.19
IUPAC NameN-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2,3-dimethoxybenzamide
SMILESCOc1cccc(C(CNC(=O)c2cccc(OC)c2OC)N(C)C)c1
InChIInChI=1S/C20H26N2O4/c1-22(2)17(14-8-6-9-15(12-14)24-3)13-21-20(23)16-10-7-11-18(25-4)19(16)26-5/h6-12,17H,13H2,1-5H3,(H,21,23)
InChIKeyNOGMFUNNSFLOLS-UHFFFAOYSA-N
XLogP2.75
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]benzamide
CID 45001535
2-bromo-N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]benzamide
CID 8795965
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-hydroxynaphthalene-2-carboxamide
CID 55337121
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-hydroxy-5-methylbenzamide
CID 51186736
2-benzamido-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]benzamide
CID 55337352
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-(2-phenylethyl)benzamide
CID 55337326
2,3-dimethoxy-N-[(1S)-1-(3-methoxyphenyl)ethyl]benzamide
CID 842039
1-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-[(2-methoxyphenyl)methyl]urea
CID 51291088
2-bromo-5-chloro-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]benzamide
CID 78849646
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-methylpropanamide
CID 51186668
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 51186700
N-(2,2-dimethoxyethyl)-2,3-dimethoxybenzamide
CID 55025842

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2,3-dimethoxybenzamide?
The IUPAC name of N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2,3-dimethoxybenzamide (CID 45001541) is N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2,3-dimethoxybenzamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2,3-dimethoxybenzamide?
The canonical SMILES for N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2,3-dimethoxybenzamide is COc1cccc(C(CNC(=O)c2cccc(OC)c2OC)N(C)C)c1.
What is the InChIKey of N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2,3-dimethoxybenzamide?
The InChIKey is NOGMFUNNSFLOLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4/c1-22(2)17(14-8-6-9-15(12-14)24-3)13-21-20(23)16-10-7-11-18(25-4)19(16)26-5/h6-12,17H,13H2,1-5H3,(H,21,23).
What are the key properties of N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2,3-dimethoxybenzamide?
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2,3-dimethoxybenzamide has a molecular weight of 358.44 g/mol, XLogP of 2.75, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2,3-dimethoxybenzamide is sourced from PubChem (CID 45001541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).