5-(3-ethylphenyl)-4-oxopentanamide

C13H17NO2 — CID 90850314

IUPAC5-(3-ethylphenyl)-4-oxopentanamide
SMILESCCc1cccc(CC(=O)CCC(N)=O)c1
InChIInChI=1S/C13H17NO2/c1-2-10-4-3-5-11(8-10)9-12(15)6-7-13(14)16/h3-5,8H,2,6-7,9H2,1H3,(H2,14,16)
InChIKeyWGTZYNYTAKWQKC-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.63
Rot. Bonds6

About 5-(3-ethylphenyl)-4-oxopentanamide

5-(3-ethylphenyl)-4-oxopentanamide (PubChem CID 90850314) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 5-(3-ethylphenyl)-4-oxopentanamide.

Molecular Properties

Compound Name5-(3-ethylphenyl)-4-oxopentanamide
PubChem CID90850314
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name5-(3-ethylphenyl)-4-oxopentanamide
SMILESCCc1cccc(CC(=O)CCC(N)=O)c1
InChIInChI=1S/C13H17NO2/c1-2-10-4-3-5-11(8-10)9-12(15)6-7-13(14)16/h3-5,8H,2,6-7,9H2,1H3,(H2,14,16)
InChIKeyWGTZYNYTAKWQKC-UHFFFAOYSA-N
XLogP1.63
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-ethylphenyl)methylurea
CID 70298508
4-(3-ethylphenoxy)butanamide
CID 82040637
1-(4-aminophenyl)-2-(3-ethylphenyl)ethanone
CID 145137621
2-(3-ethylphenyl)-N-formylacetamide
CID 130010349
3-(N-cyano-3-ethylanilino)propanamide
CID 71852253
tert-butyl 2-(3-ethylphenyl)acetate
CID 71064752
28-[3-(28-amino-28-oxooctacosyl)phenyl]octacosanamide
CID 139913046
2-[3-(bromomethyl)phenyl]acetamide
CID 151051771
2-(3-ethylphenyl)-N-methoxy-N-methylacetamide
CID 87253905
1-(3-aminophenyl)-4-methylsulfonylbutan-2-one
CID 116577269
ethenone;(3-ethylphenyl)methanamine
CID 177135732
methyl 4-oxo-5-[3-(trifluoromethyl)phenyl]pentanoate
CID 63900904

Frequently Asked Questions

What is the IUPAC name of 5-(3-ethylphenyl)-4-oxopentanamide?
The IUPAC name of 5-(3-ethylphenyl)-4-oxopentanamide (CID 90850314) is 5-(3-ethylphenyl)-4-oxopentanamide.
What is the SMILES notation for 5-(3-ethylphenyl)-4-oxopentanamide?
The canonical SMILES for 5-(3-ethylphenyl)-4-oxopentanamide is CCc1cccc(CC(=O)CCC(N)=O)c1.
What is the InChIKey of 5-(3-ethylphenyl)-4-oxopentanamide?
The InChIKey is WGTZYNYTAKWQKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-2-10-4-3-5-11(8-10)9-12(15)6-7-13(14)16/h3-5,8H,2,6-7,9H2,1H3,(H2,14,16).
What are the key properties of 5-(3-ethylphenyl)-4-oxopentanamide?
5-(3-ethylphenyl)-4-oxopentanamide has a molecular weight of 219.28 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethylphenyl)-4-oxopentanamide is sourced from PubChem (CID 90850314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).