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

C21H25NO4 — CID 113095899

IUPACN-cyclopropyl-2-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
SMILESCOc1cc(CN(C(=O)c2ccccc2C)C2CC2)cc(OC)c1OC
InChIInChI=1S/C21H25NO4/c1-14-7-5-6-8-17(14)21(23)22(16-9-10-16)13-15-11-18(24-2)20(26-4)19(12-15)25-3/h5-8,11-12,16H,9-10,13H2,1-4H3
InChIKeyAXIXYJKAPVXTBI-UHFFFAOYSA-N
MW355.43 g/mol
LogP3.83
Rot. Bonds7

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

N-cyclopropyl-2-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide (PubChem CID 113095899) has the molecular formula C21H25NO4 and a molecular weight of 355.43 g/mol. Its IUPAC name is N-cyclopropyl-2-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-2-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
PubChem CID113095899
Molecular FormulaC21H25NO4
Molecular Weight355.43 g/mol
Exact Mass355.18
IUPAC NameN-cyclopropyl-2-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
SMILESCOc1cc(CN(C(=O)c2ccccc2C)C2CC2)cc(OC)c1OC
InChIInChI=1S/C21H25NO4/c1-14-7-5-6-8-17(14)21(23)22(16-9-10-16)13-15-11-18(24-2)20(26-4)19(12-15)25-3/h5-8,11-12,16H,9-10,13H2,1-4H3
InChIKeyAXIXYJKAPVXTBI-UHFFFAOYSA-N
XLogP3.83
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 53.83
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
2-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 27315980
N-cyclopropyl-N-[2-(3,4,5-trimethoxyphenyl)ethyl]benzamide
CID 113095969
N-cyclopropyl-N-[(3,4,5-trimethoxyphenyl)methyl]cyclohexanecarboxamide
CID 113095892
N-cyclopropyl-N-[2-(3,4,5-trimethoxyphenyl)ethyl]acetamide
CID 113095956
N-cyclopropyl-N-[(3,4,5-trimethoxyphenyl)methyl]oxane-4-carboxamide
CID 113095939
2-chloro-N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 113095840
N-[(4-tert-butylphenyl)methyl]-N-cyclohexyl-2-methylbenzamide
CID 42702953
N-cyclopropyl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-2-methylbenzamide
CID 4216866
2-bromo-N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 113095826
N-[(3R)-1,1-dioxothiolan-3-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]furan-2-carboxamide
CID 40643700

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide?
The IUPAC name of N-cyclopropyl-2-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide (CID 113095899) is N-cyclopropyl-2-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide.
What is the SMILES notation for N-cyclopropyl-2-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide?
The canonical SMILES for N-cyclopropyl-2-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide is COc1cc(CN(C(=O)c2ccccc2C)C2CC2)cc(OC)c1OC.
What is the InChIKey of N-cyclopropyl-2-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide?
The InChIKey is AXIXYJKAPVXTBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO4/c1-14-7-5-6-8-17(14)21(23)22(16-9-10-16)13-15-11-18(24-2)20(26-4)19(12-15)25-3/h5-8,11-12,16H,9-10,13H2,1-4H3.
What are the key properties of N-cyclopropyl-2-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide?
N-cyclopropyl-2-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide has a molecular weight of 355.43 g/mol, XLogP of 3.83, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide is sourced from PubChem (CID 113095899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).