N-(2-ethylphenyl)heptanamide

C15H23NO — CID 4582103

IUPACN-(2-ethylphenyl)heptanamide
SMILESCCCCCCC(=O)Nc1ccccc1CC
InChIInChI=1S/C15H23NO/c1-3-5-6-7-12-15(17)16-14-11-9-8-10-13(14)4-2/h8-11H,3-7,12H2,1-2H3,(H,16,17)
InChIKeyCWESRRSZQKRSSK-UHFFFAOYSA-N
MW233.35 g/mol
LogP4.16
Rot. Bonds7

About N-(2-ethylphenyl)heptanamide

N-(2-ethylphenyl)heptanamide (PubChem CID 4582103) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is N-(2-ethylphenyl)heptanamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)heptanamide
PubChem CID4582103
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC NameN-(2-ethylphenyl)heptanamide
SMILESCCCCCCC(=O)Nc1ccccc1CC
InChIInChI=1S/C15H23NO/c1-3-5-6-7-12-15(17)16-14-11-9-8-10-13(14)4-2/h8-11H,3-7,12H2,1-2H3,(H,16,17)
InChIKeyCWESRRSZQKRSSK-UHFFFAOYSA-N
XLogP4.16
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2-ethylphenyl)undecanamide
CID 5078439
N-[2-(ethylaminomethyl)phenyl]nonanamide
CID 65425982
N-(2-chlorophenyl)octanamide
CID 2292983
N-naphthalen-1-yldodecanamide
CID 588517
N-(2-aminophenyl)octadecanamide
CID 68839220
(Z)-N-(2-hydroxyphenyl)octadec-9-enamide
CID 52916764
2-(hexacosanoylamino)benzoic acid
CID 123304158
N,N'-bis(2-ethylphenyl)propanediamide
CID 3881876
N-(2-fluorophenyl)hexanamide
CID 3481165
N-(2-chlorophenyl)hexanamide
CID 4644560
N-[2-(ethylaminomethyl)phenyl]pentanamide;hydrochloride
CID 119438958
12-hydroxy-N-[2-(12-hydroxyoctadecanoylamino)phenyl]octadecanamide
CID 70182552

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)heptanamide?
The IUPAC name of N-(2-ethylphenyl)heptanamide (CID 4582103) is N-(2-ethylphenyl)heptanamide.
What is the SMILES notation for N-(2-ethylphenyl)heptanamide?
The canonical SMILES for N-(2-ethylphenyl)heptanamide is CCCCCCC(=O)Nc1ccccc1CC.
What is the InChIKey of N-(2-ethylphenyl)heptanamide?
The InChIKey is CWESRRSZQKRSSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-3-5-6-7-12-15(17)16-14-11-9-8-10-13(14)4-2/h8-11H,3-7,12H2,1-2H3,(H,16,17).
What are the key properties of N-(2-ethylphenyl)heptanamide?
N-(2-ethylphenyl)heptanamide has a molecular weight of 233.35 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)heptanamide is sourced from PubChem (CID 4582103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).