4-ethyl-3-(2-methylphenyl)hex-3-enamide

C15H21NO — CID 70340678

IUPAC4-ethyl-3-(2-methylphenyl)hex-3-enamide
SMILESCCC(CC)=C(CC(N)=O)c1ccccc1C
InChIInChI=1S/C15H21NO/c1-4-12(5-2)14(10-15(16)17)13-9-7-6-8-11(13)3/h6-9H,4-5,10H2,1-3H3,(H2,16,17)
InChIKeyZJNFJUWJBFHJOJ-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.44
Rot. Bonds5

About 4-ethyl-3-(2-methylphenyl)hex-3-enamide

4-ethyl-3-(2-methylphenyl)hex-3-enamide (PubChem CID 70340678) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 4-ethyl-3-(2-methylphenyl)hex-3-enamide.

Molecular Properties

Compound Name4-ethyl-3-(2-methylphenyl)hex-3-enamide
PubChem CID70340678
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name4-ethyl-3-(2-methylphenyl)hex-3-enamide
SMILESCCC(CC)=C(CC(N)=O)c1ccccc1C
InChIInChI=1S/C15H21NO/c1-4-12(5-2)14(10-15(16)17)13-9-7-6-8-11(13)3/h6-9H,4-5,10H2,1-3H3,(H2,16,17)
InChIKeyZJNFJUWJBFHJOJ-UHFFFAOYSA-N
XLogP3.44
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[(Z)-1-(2-methylphenyl)propylideneamino]urea
CID 121218183
1-(2-methylphenyl)butane-1,2-dione
CID 69199618
2-methylbenzamide;molecular hydrogen
CID 177161283
triethylsilyl 2-methylbenzoate
CID 102243806
4-(2-methylphenyl)pent-4-enamide
CID 146545634
sodium;ethyl 2-methylbenzoate;hydride
CID 174396999
2-(2-methylphenyl)prop-2-enamide
CID 23202678
propyl 2-methylbenzoate
CID 23432654
[2-(2-methylbenzoyl)phenyl]-(2-methylphenyl)methanone
CID 15597717
(4-ethylcyclohexyl)-(2-methylphenyl)methanone
CID 64774174
2-methyl-N-(2-methyl-3-oxopentan-2-yl)benzamide
CID 10059880
N-ethylsulfonyl-2-methylbenzamide
CID 18331687

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-(2-methylphenyl)hex-3-enamide?
The IUPAC name of 4-ethyl-3-(2-methylphenyl)hex-3-enamide (CID 70340678) is 4-ethyl-3-(2-methylphenyl)hex-3-enamide.
What is the SMILES notation for 4-ethyl-3-(2-methylphenyl)hex-3-enamide?
The canonical SMILES for 4-ethyl-3-(2-methylphenyl)hex-3-enamide is CCC(CC)=C(CC(N)=O)c1ccccc1C.
What is the InChIKey of 4-ethyl-3-(2-methylphenyl)hex-3-enamide?
The InChIKey is ZJNFJUWJBFHJOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-4-12(5-2)14(10-15(16)17)13-9-7-6-8-11(13)3/h6-9H,4-5,10H2,1-3H3,(H2,16,17).
What are the key properties of 4-ethyl-3-(2-methylphenyl)hex-3-enamide?
4-ethyl-3-(2-methylphenyl)hex-3-enamide has a molecular weight of 231.34 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-(2-methylphenyl)hex-3-enamide is sourced from PubChem (CID 70340678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).