N-ethyl-N-phenyloctadecanamide

C26H45NO — CID 151424183

IUPACN-ethyl-N-phenyloctadecanamide
SMILESCCCCCCCCCCCCCCCCCC(=O)N(CC)c1ccccc1
InChIInChI=1S/C26H45NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-26(28)27(4-2)25-22-19-18-20-23-25/h18-20,22-23H,3-17,21,24H2,1-2H3
InChIKeyPBEBETUDXQRVJA-UHFFFAOYSA-N
MW387.65 g/mol
LogP8.30
Rot. Bonds18

About N-ethyl-N-phenyloctadecanamide

N-ethyl-N-phenyloctadecanamide (PubChem CID 151424183) has the molecular formula C26H45NO and a molecular weight of 387.65 g/mol. Its IUPAC name is N-ethyl-N-phenyloctadecanamide.

Molecular Properties

Compound NameN-ethyl-N-phenyloctadecanamide
PubChem CID151424183
Molecular FormulaC26H45NO
Molecular Weight387.65 g/mol
Exact Mass387.35
IUPAC NameN-ethyl-N-phenyloctadecanamide
SMILESCCCCCCCCCCCCCCCCCC(=O)N(CC)c1ccccc1
InChIInChI=1S/C26H45NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-26(28)27(4-2)25-22-19-18-20-23-25/h18-20,22-23H,3-17,21,24H2,1-2H3
InChIKeyPBEBETUDXQRVJA-UHFFFAOYSA-N
XLogP8.30
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.65
LogP ≤ 58.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

heptyl 6-(N-ethylanilino)-6-oxohexanoate
CID 91711017
3-(N-octanoylanilino)propanoic acid
CID 60831115
N-ethyl-N-(3-hydroxyphenyl)heptanamide
CID 107736474
octyl 4-(N-ethylanilino)-4-oxobutanoate
CID 91710998
N-(3-aminophenyl)-N-ethyldecanamide
CID 65448348
4-amino-N-ethyl-N-phenylbutanamide;hydrochloride
CID 119261842
N-ethyl-N-(4-fluorophenyl)hexanamide
CID 78806862
N-methyl-N-phenylnonanamide
CID 54136731
N-(2-cyanoethyl)-N-phenyloctanamide
CID 43085178
N-[4-(aminomethyl)phenyl]-N-ethylhexanamide
CID 43275627
N,N'-diethyl-N,N'-diphenylpropanediamide
CID 14847934
octyl(phenyl)carbamic acid
CID 54301990

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-phenyloctadecanamide?
The IUPAC name of N-ethyl-N-phenyloctadecanamide (CID 151424183) is N-ethyl-N-phenyloctadecanamide.
What is the SMILES notation for N-ethyl-N-phenyloctadecanamide?
The canonical SMILES for N-ethyl-N-phenyloctadecanamide is CCCCCCCCCCCCCCCCCC(=O)N(CC)c1ccccc1.
What is the InChIKey of N-ethyl-N-phenyloctadecanamide?
The InChIKey is PBEBETUDXQRVJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H45NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-26(28)27(4-2)25-22-19-18-20-23-25/h18-20,22-23H,3-17,21,24H2,1-2H3.
What are the key properties of N-ethyl-N-phenyloctadecanamide?
N-ethyl-N-phenyloctadecanamide has a molecular weight of 387.65 g/mol, XLogP of 8.30, 18 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-phenyloctadecanamide is sourced from PubChem (CID 151424183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).