2-(4-ethoxy-2,5-dimethylphenyl)-2-oxo-N-propylacetamide

C15H21NO3 — CID 94275424

IUPAC2-(4-ethoxy-2,5-dimethylphenyl)-2-oxo-N-propylacetamide
SMILESCCCNC(=O)C(=O)c1cc(C)c(OCC)cc1C
InChIInChI=1S/C15H21NO3/c1-5-7-16-15(18)14(17)12-8-11(4)13(19-6-2)9-10(12)3/h8-9H,5-7H2,1-4H3,(H,16,18)
InChIKeyKOXQNJRNFNYWKE-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.41
Rot. Bonds6

About 2-(4-ethoxy-2,5-dimethylphenyl)-2-oxo-N-propylacetamide

2-(4-ethoxy-2,5-dimethylphenyl)-2-oxo-N-propylacetamide (PubChem CID 94275424) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-(4-ethoxy-2,5-dimethylphenyl)-2-oxo-N-propylacetamide.

Molecular Properties

Compound Name2-(4-ethoxy-2,5-dimethylphenyl)-2-oxo-N-propylacetamide
PubChem CID94275424
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name2-(4-ethoxy-2,5-dimethylphenyl)-2-oxo-N-propylacetamide
SMILESCCCNC(=O)C(=O)c1cc(C)c(OCC)cc1C
InChIInChI=1S/C15H21NO3/c1-5-7-16-15(18)14(17)12-8-11(4)13(19-6-2)9-10(12)3/h8-9H,5-7H2,1-4H3,(H,16,18)
InChIKeyKOXQNJRNFNYWKE-UHFFFAOYSA-N
XLogP2.41
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-(4-ethoxy-2,5-dimethylphenyl)-N-methyl-2-oxoacetamide
CID 82116584
1-(4-ethoxy-2,5-dimethylphenyl)butane-1,2-dione
CID 94686162
4-(4-ethoxy-2,5-dimethylbenzoyl)-N-propylpiperazine-1-carboxamide
CID 110812410
4-ethoxy-N-(2-hydroxyethyl)-2,5-dimethylbenzamide
CID 96661430
ethyl 4-ethoxy-2,5-dimethylbenzoate
CID 82552309
2-amino-1-(4-ethoxy-2,5-dimethylphenyl)ethanone
CID 82048712
1-(4-ethoxy-2,5-dimethylphenyl)-2-sulfanylethanone
CID 82128115
ethyl 2-(2,5-dimethyl-4-propoxyphenyl)-2-oxoacetate
CID 82552278
1-[2-(5-chloro-4-ethoxy-2-methylphenyl)ethyl]-3-propylurea
CID 110775837
(4-ethoxy-2,5-dimethylphenyl)-phenylmethanone
CID 82628812
2-(3,4-dimethoxyphenyl)-2-oxo-N-propylacetamide
CID 94269258
(Z)-2-(4-ethoxy-2,5-dimethylphenyl)but-2-enedioic acid
CID 82122325

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxy-2,5-dimethylphenyl)-2-oxo-N-propylacetamide?
The IUPAC name of 2-(4-ethoxy-2,5-dimethylphenyl)-2-oxo-N-propylacetamide (CID 94275424) is 2-(4-ethoxy-2,5-dimethylphenyl)-2-oxo-N-propylacetamide.
What is the SMILES notation for 2-(4-ethoxy-2,5-dimethylphenyl)-2-oxo-N-propylacetamide?
The canonical SMILES for 2-(4-ethoxy-2,5-dimethylphenyl)-2-oxo-N-propylacetamide is CCCNC(=O)C(=O)c1cc(C)c(OCC)cc1C.
What is the InChIKey of 2-(4-ethoxy-2,5-dimethylphenyl)-2-oxo-N-propylacetamide?
The InChIKey is KOXQNJRNFNYWKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-5-7-16-15(18)14(17)12-8-11(4)13(19-6-2)9-10(12)3/h8-9H,5-7H2,1-4H3,(H,16,18).
What are the key properties of 2-(4-ethoxy-2,5-dimethylphenyl)-2-oxo-N-propylacetamide?
2-(4-ethoxy-2,5-dimethylphenyl)-2-oxo-N-propylacetamide has a molecular weight of 263.34 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxy-2,5-dimethylphenyl)-2-oxo-N-propylacetamide is sourced from PubChem (CID 94275424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).