N-cyclopropyl-N-(2-hydroxyethyl)-3,4,5-trimethoxybenzamide

C15H21NO5 — CID 43576979

IUPACN-cyclopropyl-N-(2-hydroxyethyl)-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)N(CCO)C2CC2)cc(OC)c1OC
InChIInChI=1S/C15H21NO5/c1-19-12-8-10(9-13(20-2)14(12)21-3)15(18)16(6-7-17)11-4-5-11/h8-9,11,17H,4-7H2,1-3H3
InChIKeyGRCYOTKVPWNTKF-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.31
Rot. Bonds7

About N-cyclopropyl-N-(2-hydroxyethyl)-3,4,5-trimethoxybenzamide

N-cyclopropyl-N-(2-hydroxyethyl)-3,4,5-trimethoxybenzamide (PubChem CID 43576979) has the molecular formula C15H21NO5 and a molecular weight of 295.34 g/mol. Its IUPAC name is N-cyclopropyl-N-(2-hydroxyethyl)-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(2-hydroxyethyl)-3,4,5-trimethoxybenzamide
PubChem CID43576979
Molecular FormulaC15H21NO5
Molecular Weight295.34 g/mol
Exact Mass295.14
IUPAC NameN-cyclopropyl-N-(2-hydroxyethyl)-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)N(CCO)C2CC2)cc(OC)c1OC
InChIInChI=1S/C15H21NO5/c1-19-12-8-10(9-13(20-2)14(12)21-3)15(18)16(6-7-17)11-4-5-11/h8-9,11,17H,4-7H2,1-3H3
InChIKeyGRCYOTKVPWNTKF-UHFFFAOYSA-N
XLogP1.31
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclobutyl-N-(2-hydroxyethyl)-3,5-dimethoxy-4-methylbenzamide
CID 102684529
2-[cyclopropyl-(3,4,5-trimethoxybenzoyl)amino]acetic acid
CID 94718590
N-(cyanomethyl)-N-cyclopropyl-3,4,5-trimethoxybenzamide
CID 47796126
N-cyclobutyl-4-fluoro-N-(2-hydroxyethyl)-3-methoxybenzamide
CID 102684653
N-cyclopropyl-N-[2-(3,4,5-trimethoxyphenyl)ethyl]benzamide
CID 113095969
3,4,5-trimethoxy-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119530647
2-[2-hydroxyethyl-(3,4,5-trimethoxybenzoyl)amino]acetic acid
CID 71370887
N-cyclopropyl-N-(2-hydroxyethyl)-6-methoxypyridine-3-carboxamide
CID 43577386
N-cyclopropyl-N-(2-hydroxyethyl)-3,4-dimethylbenzamide
CID 43576906
N-cyclopropyl-N-[2-(3,4,5-trimethoxyphenyl)ethyl]acetamide
CID 113095956
N-cyclopentyl-N-(2-hydroxyethyl)-3,5-dimethylbenzamide
CID 54993921
3,4,5-trimethoxy-N-[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-N-(2-phenylethyl)benzamide
CID 98119704

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(2-hydroxyethyl)-3,4,5-trimethoxybenzamide?
The IUPAC name of N-cyclopropyl-N-(2-hydroxyethyl)-3,4,5-trimethoxybenzamide (CID 43576979) is N-cyclopropyl-N-(2-hydroxyethyl)-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-cyclopropyl-N-(2-hydroxyethyl)-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-cyclopropyl-N-(2-hydroxyethyl)-3,4,5-trimethoxybenzamide is COc1cc(C(=O)N(CCO)C2CC2)cc(OC)c1OC.
What is the InChIKey of N-cyclopropyl-N-(2-hydroxyethyl)-3,4,5-trimethoxybenzamide?
The InChIKey is GRCYOTKVPWNTKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO5/c1-19-12-8-10(9-13(20-2)14(12)21-3)15(18)16(6-7-17)11-4-5-11/h8-9,11,17H,4-7H2,1-3H3.
What are the key properties of N-cyclopropyl-N-(2-hydroxyethyl)-3,4,5-trimethoxybenzamide?
N-cyclopropyl-N-(2-hydroxyethyl)-3,4,5-trimethoxybenzamide has a molecular weight of 295.34 g/mol, XLogP of 1.31, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(2-hydroxyethyl)-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 43576979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).