N-cyclopropyl-N-[2-(3,4,5-trimethoxyphenyl)ethyl]benzamide

C21H25NO4 — CID 113095969

IUPACN-cyclopropyl-N-[2-(3,4,5-trimethoxyphenyl)ethyl]benzamide
SMILESCOc1cc(CCN(C(=O)c2ccccc2)C2CC2)cc(OC)c1OC
InChIInChI=1S/C21H25NO4/c1-24-18-13-15(14-19(25-2)20(18)26-3)11-12-22(17-9-10-17)21(23)16-7-5-4-6-8-16/h4-8,13-14,17H,9-12H2,1-3H3
InChIKeyASSYUHPGMYKQTJ-UHFFFAOYSA-N
MW355.43 g/mol
LogP3.56
Rot. Bonds8

About N-cyclopropyl-N-[2-(3,4,5-trimethoxyphenyl)ethyl]benzamide

N-cyclopropyl-N-[2-(3,4,5-trimethoxyphenyl)ethyl]benzamide (PubChem CID 113095969) has the molecular formula C21H25NO4 and a molecular weight of 355.43 g/mol. Its IUPAC name is N-cyclopropyl-N-[2-(3,4,5-trimethoxyphenyl)ethyl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[2-(3,4,5-trimethoxyphenyl)ethyl]benzamide
PubChem CID113095969
Molecular FormulaC21H25NO4
Molecular Weight355.43 g/mol
Exact Mass355.18
IUPAC NameN-cyclopropyl-N-[2-(3,4,5-trimethoxyphenyl)ethyl]benzamide
SMILESCOc1cc(CCN(C(=O)c2ccccc2)C2CC2)cc(OC)c1OC
InChIInChI=1S/C21H25NO4/c1-24-18-13-15(14-19(25-2)20(18)26-3)11-12-22(17-9-10-17)21(23)16-7-5-4-6-8-16/h4-8,13-14,17H,9-12H2,1-3H3
InChIKeyASSYUHPGMYKQTJ-UHFFFAOYSA-N
XLogP3.56
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-2-methoxy-N-[2-(3,4,5-trimethoxyphenyl)ethyl]benzamide
CID 113095976
N-cyclopropyl-2-fluoro-N-[2-(3,4,5-trimethoxyphenyl)ethyl]benzamide
CID 113095973
N-cyclopropyl-N-[2-(3,4,5-trimethoxyphenyl)ethyl]acetamide
CID 113095956
3,4,5-trimethoxy-N-[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-N-(2-phenylethyl)benzamide
CID 98119704
N-cyclopropyl-2,2-dimethyl-N-[2-(3,4,5-trimethoxyphenyl)ethyl]propanamide
CID 113095965
N-cyclopropyl-N-(2-hydroxyethyl)-3,4,5-trimethoxybenzamide
CID 43576979
N-cyclopropyl-2-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 113095899
N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 90854315
2-[cyclopropyl-(3,4,5-trimethoxybenzoyl)amino]acetic acid
CID 94718590
N-(2-chloroethyl)-N-cyclopropylbenzamide
CID 63394612
N-cyclopropyl-N-[2-(3,4,5-trimethoxyphenyl)ethyl]ethanesulfonamide
CID 113096008
N-(cyanomethyl)-N-cyclopropyl-3,4,5-trimethoxybenzamide
CID 47796126

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[2-(3,4,5-trimethoxyphenyl)ethyl]benzamide?
The IUPAC name of N-cyclopropyl-N-[2-(3,4,5-trimethoxyphenyl)ethyl]benzamide (CID 113095969) is N-cyclopropyl-N-[2-(3,4,5-trimethoxyphenyl)ethyl]benzamide.
What is the SMILES notation for N-cyclopropyl-N-[2-(3,4,5-trimethoxyphenyl)ethyl]benzamide?
The canonical SMILES for N-cyclopropyl-N-[2-(3,4,5-trimethoxyphenyl)ethyl]benzamide is COc1cc(CCN(C(=O)c2ccccc2)C2CC2)cc(OC)c1OC.
What is the InChIKey of N-cyclopropyl-N-[2-(3,4,5-trimethoxyphenyl)ethyl]benzamide?
The InChIKey is ASSYUHPGMYKQTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO4/c1-24-18-13-15(14-19(25-2)20(18)26-3)11-12-22(17-9-10-17)21(23)16-7-5-4-6-8-16/h4-8,13-14,17H,9-12H2,1-3H3.
What are the key properties of N-cyclopropyl-N-[2-(3,4,5-trimethoxyphenyl)ethyl]benzamide?
N-cyclopropyl-N-[2-(3,4,5-trimethoxyphenyl)ethyl]benzamide has a molecular weight of 355.43 g/mol, XLogP of 3.56, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[2-(3,4,5-trimethoxyphenyl)ethyl]benzamide is sourced from PubChem (CID 113095969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).