N-(2-ethylphenyl)-N-hexanoylhexanamide

C20H31NO2 — CID 91711142

IUPACN-(2-ethylphenyl)-N-hexanoylhexanamide
SMILESCCCCCC(=O)N(C(=O)CCCCC)c1ccccc1CC
InChIInChI=1S/C20H31NO2/c1-4-7-9-15-19(22)21(20(23)16-10-8-5-2)18-14-12-11-13-17(18)6-3/h11-14H,4-10,15-16H2,1-3H3
InChIKeyVWMSWGUWZXNEGV-UHFFFAOYSA-N
MW317.47 g/mol
LogP5.27
Rot. Bonds10

About N-(2-ethylphenyl)-N-hexanoylhexanamide

N-(2-ethylphenyl)-N-hexanoylhexanamide (PubChem CID 91711142) has the molecular formula C20H31NO2 and a molecular weight of 317.47 g/mol. Its IUPAC name is N-(2-ethylphenyl)-N-hexanoylhexanamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-N-hexanoylhexanamide
PubChem CID91711142
Molecular FormulaC20H31NO2
Molecular Weight317.47 g/mol
Exact Mass317.24
IUPAC NameN-(2-ethylphenyl)-N-hexanoylhexanamide
SMILESCCCCCC(=O)N(C(=O)CCCCC)c1ccccc1CC
InChIInChI=1S/C20H31NO2/c1-4-7-9-15-19(22)21(20(23)16-10-8-5-2)18-14-12-11-13-17(18)6-3/h11-14H,4-10,15-16H2,1-3H3
InChIKeyVWMSWGUWZXNEGV-UHFFFAOYSA-N
XLogP5.27
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.47
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(N-dodecanoyl-2-methylanilino)ethyl]-N-(2-methylphenyl)dodecanamide
CID 4038839
N-ethyl-N-phenyloctadecanamide
CID 151424183
3-(N-heptanoyl-2-methylanilino)propanoic acid
CID 60832644
N-[(2-bromophenyl)methyl]-N-methylheptanamide
CID 113221232
N-methyl-N-phenylnonanamide
CID 54136731
N-[(2-aminophenyl)methyl]-N-ethylheptanamide
CID 114751955
3-(N-octanoylanilino)propanoic acid
CID 60831115
N-(2-ethylphenyl)undecanamide
CID 5078439
N-(2-ethylphenyl)heptanamide
CID 4582103
N-(2-fluorophenyl)-N-methylpentanamide
CID 174907677
1-(2-methylphenyl)heptan-2-one
CID 61055450
N-[2-(N-acetyl-2-ethylanilino)ethyl]pentanamide
CID 113058287

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-N-hexanoylhexanamide?
The IUPAC name of N-(2-ethylphenyl)-N-hexanoylhexanamide (CID 91711142) is N-(2-ethylphenyl)-N-hexanoylhexanamide.
What is the SMILES notation for N-(2-ethylphenyl)-N-hexanoylhexanamide?
The canonical SMILES for N-(2-ethylphenyl)-N-hexanoylhexanamide is CCCCCC(=O)N(C(=O)CCCCC)c1ccccc1CC.
What is the InChIKey of N-(2-ethylphenyl)-N-hexanoylhexanamide?
The InChIKey is VWMSWGUWZXNEGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31NO2/c1-4-7-9-15-19(22)21(20(23)16-10-8-5-2)18-14-12-11-13-17(18)6-3/h11-14H,4-10,15-16H2,1-3H3.
What are the key properties of N-(2-ethylphenyl)-N-hexanoylhexanamide?
N-(2-ethylphenyl)-N-hexanoylhexanamide has a molecular weight of 317.47 g/mol, XLogP of 5.27, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-N-hexanoylhexanamide is sourced from PubChem (CID 91711142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).