N-(3-ethylphenyl)-3,4,5-trimethoxybenzamide

C18H21NO4 — CID 897201

IUPACN-(3-ethylphenyl)-3,4,5-trimethoxybenzamide
SMILESCCc1cccc(NC(=O)c2cc(OC)c(OC)c(OC)c2)c1
InChIInChI=1S/C18H21NO4/c1-5-12-7-6-8-14(9-12)19-18(20)13-10-15(21-2)17(23-4)16(11-13)22-3/h6-11H,5H2,1-4H3,(H,19,20)
InChIKeyVPIJQPZOGYJUQB-UHFFFAOYSA-N
MW315.37 g/mol
LogP3.53
Rot. Bonds6

About N-(3-ethylphenyl)-3,4,5-trimethoxybenzamide

N-(3-ethylphenyl)-3,4,5-trimethoxybenzamide (PubChem CID 897201) has the molecular formula C18H21NO4 and a molecular weight of 315.37 g/mol. Its IUPAC name is N-(3-ethylphenyl)-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-(3-ethylphenyl)-3,4,5-trimethoxybenzamide
PubChem CID897201
Molecular FormulaC18H21NO4
Molecular Weight315.37 g/mol
Exact Mass315.15
IUPAC NameN-(3-ethylphenyl)-3,4,5-trimethoxybenzamide
SMILESCCc1cccc(NC(=O)c2cc(OC)c(OC)c(OC)c2)c1
InChIInChI=1S/C18H21NO4/c1-5-12-7-6-8-14(9-12)19-18(20)13-10-15(21-2)17(23-4)16(11-13)22-3/h6-11H,5H2,1-4H3,(H,19,20)
InChIKeyVPIJQPZOGYJUQB-UHFFFAOYSA-N
XLogP3.53
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethylphenyl)-3,4,5-trimethoxybenzamide?
The IUPAC name of N-(3-ethylphenyl)-3,4,5-trimethoxybenzamide (CID 897201) is N-(3-ethylphenyl)-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-(3-ethylphenyl)-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-(3-ethylphenyl)-3,4,5-trimethoxybenzamide is CCc1cccc(NC(=O)c2cc(OC)c(OC)c(OC)c2)c1.
What is the InChIKey of N-(3-ethylphenyl)-3,4,5-trimethoxybenzamide?
The InChIKey is VPIJQPZOGYJUQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4/c1-5-12-7-6-8-14(9-12)19-18(20)13-10-15(21-2)17(23-4)16(11-13)22-3/h6-11H,5H2,1-4H3,(H,19,20).
What are the key properties of N-(3-ethylphenyl)-3,4,5-trimethoxybenzamide?
N-(3-ethylphenyl)-3,4,5-trimethoxybenzamide has a molecular weight of 315.37 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylphenyl)-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 897201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).