4-ethoxy-2-methyl-5-propan-2-ylbenzamide

C13H19NO2 — CID 82266051

IUPAC4-ethoxy-2-methyl-5-propan-2-ylbenzamide
SMILESCCOc1cc(C)c(C(N)=O)cc1C(C)C
InChIInChI=1S/C13H19NO2/c1-5-16-12-6-9(4)11(13(14)15)7-10(12)8(2)3/h6-8H,5H2,1-4H3,(H2,14,15)
InChIKeyWUYGNNDLSGUGKV-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.62
Rot. Bonds4

About 4-ethoxy-2-methyl-5-propan-2-ylbenzamide

4-ethoxy-2-methyl-5-propan-2-ylbenzamide (PubChem CID 82266051) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 4-ethoxy-2-methyl-5-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-ethoxy-2-methyl-5-propan-2-ylbenzamide
PubChem CID82266051
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name4-ethoxy-2-methyl-5-propan-2-ylbenzamide
SMILESCCOc1cc(C)c(C(N)=O)cc1C(C)C
InChIInChI=1S/C13H19NO2/c1-5-16-12-6-9(4)11(13(14)15)7-10(12)8(2)3/h6-8H,5H2,1-4H3,(H2,14,15)
InChIKeyWUYGNNDLSGUGKV-UHFFFAOYSA-N
XLogP2.62
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-ethoxy-2-methyl-5-propan-2-ylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-aminophenyl)-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)methanone
CID 82266056
1-ethoxy-4-ethyl-5-methyl-2-propan-2-ylbenzene
CID 58065697
ethyl 2-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-2-oxoacetate
CID 95470469
ethyl 4-ethoxy-2,5-dimethylbenzoate
CID 82552309
2-chloro-4,5-diethoxybenzamide
CID 82268164
5-fluoro-2-methyl-4-propan-2-ylbenzamide
CID 58333607
[(4-ethoxy-2-methyl-5-propan-2-ylphenyl)methylideneamino]thiourea
CID 168535289
N-[(4-ethoxy-2-methyl-5-propan-2-ylphenyl)methyl]ethanamine
CID 82552738
2-(4-amino-5-methyl-2-propan-2-ylphenoxy)-N-ethyl-N-methylacetamide
CID 65216731
2-amino-1-(4-ethoxy-2,5-dimethylphenyl)ethanone
CID 82048712
5-chloro-4-ethoxy-2-methylbenzoic acid
CID 82284593
4-chloro-2-ethoxybenzamide
CID 126998915

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-2-methyl-5-propan-2-ylbenzamide?
The IUPAC name of 4-ethoxy-2-methyl-5-propan-2-ylbenzamide (CID 82266051) is 4-ethoxy-2-methyl-5-propan-2-ylbenzamide.
What is the SMILES notation for 4-ethoxy-2-methyl-5-propan-2-ylbenzamide?
The canonical SMILES for 4-ethoxy-2-methyl-5-propan-2-ylbenzamide is CCOc1cc(C)c(C(N)=O)cc1C(C)C.
What is the InChIKey of 4-ethoxy-2-methyl-5-propan-2-ylbenzamide?
The InChIKey is WUYGNNDLSGUGKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-5-16-12-6-9(4)11(13(14)15)7-10(12)8(2)3/h6-8H,5H2,1-4H3,(H2,14,15).
What are the key properties of 4-ethoxy-2-methyl-5-propan-2-ylbenzamide?
4-ethoxy-2-methyl-5-propan-2-ylbenzamide has a molecular weight of 221.30 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-2-methyl-5-propan-2-ylbenzamide is sourced from PubChem (CID 82266051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).