N-ethyl-3,4-dimethoxy-5-methylbenzamide

C12H17NO3 — CID 70790731

IUPACN-ethyl-3,4-dimethoxy-5-methylbenzamide
SMILESCCNC(=O)c1cc(C)c(OC)c(OC)c1
InChIInChI=1S/C12H17NO3/c1-5-13-12(14)9-6-8(2)11(16-4)10(7-9)15-3/h6-7H,5H2,1-4H3,(H,13,14)
InChIKeyCYNIKUPQANTGHQ-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.76
Rot. Bonds4

About N-ethyl-3,4-dimethoxy-5-methylbenzamide

N-ethyl-3,4-dimethoxy-5-methylbenzamide (PubChem CID 70790731) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is N-ethyl-3,4-dimethoxy-5-methylbenzamide.

Molecular Properties

Compound NameN-ethyl-3,4-dimethoxy-5-methylbenzamide
PubChem CID70790731
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC NameN-ethyl-3,4-dimethoxy-5-methylbenzamide
SMILESCCNC(=O)c1cc(C)c(OC)c(OC)c1
InChIInChI=1S/C12H17NO3/c1-5-13-12(14)9-6-8(2)11(16-4)10(7-9)15-3/h6-7H,5H2,1-4H3,(H,13,14)
InChIKeyCYNIKUPQANTGHQ-UHFFFAOYSA-N
XLogP1.76
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-4-ethoxy-N-ethyl-5-methoxybenzamide
CID 4019804
1-(3,4-dimethoxy-5-methylphenyl)-2-(methylamino)ethanone
CID 117319719
methyl N-[2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]carbamate
CID 108570777
N-ethyl-3,5-dimethoxybenzamide
CID 4286127
N-decyl-3,4,5-trimethoxybenzamide
CID 5067444
N-[2-(2-ethylbutanoylamino)ethyl]-3,4,5-trimethoxybenzamide
CID 108538157
3,4,5-trimethoxy-N-[2-(2,3,6-trimethylphenoxy)ethyl]benzamide
CID 113101112
4-(ethylcarbamoyl)-2,6-dimethylbenzoic acid
CID 20619420
N-[2-(ethylamino)-2-oxoethyl]-3,4-dimethoxy-5-prop-2-enylbenzamide
CID 18145820
2-amino-N-ethyl-3,4,5-trimethoxybenzamide
CID 18711859
N-(3-hydroxypentyl)-3,4,5-trimethoxybenzamide
CID 115703422
N-[[4-(hexanoylamino)phenyl]carbamothioyl]-3,4-dimethoxy-5-methylbenzamide
CID 90780123

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3,4-dimethoxy-5-methylbenzamide?
The IUPAC name of N-ethyl-3,4-dimethoxy-5-methylbenzamide (CID 70790731) is N-ethyl-3,4-dimethoxy-5-methylbenzamide.
What is the SMILES notation for N-ethyl-3,4-dimethoxy-5-methylbenzamide?
The canonical SMILES for N-ethyl-3,4-dimethoxy-5-methylbenzamide is CCNC(=O)c1cc(C)c(OC)c(OC)c1.
What is the InChIKey of N-ethyl-3,4-dimethoxy-5-methylbenzamide?
The InChIKey is CYNIKUPQANTGHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-5-13-12(14)9-6-8(2)11(16-4)10(7-9)15-3/h6-7H,5H2,1-4H3,(H,13,14).
What are the key properties of N-ethyl-3,4-dimethoxy-5-methylbenzamide?
N-ethyl-3,4-dimethoxy-5-methylbenzamide has a molecular weight of 223.27 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3,4-dimethoxy-5-methylbenzamide is sourced from PubChem (CID 70790731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).