N-phenyldocos-13-enamide

C28H47NO — CID 54224492

IUPACN-phenyldocos-13-enamide
SMILESCCCCCCCCC=CCCCCCCCCCCCC(=O)Nc1ccccc1
InChIInChI=1S/C28H47NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-26-28(30)29-27-24-21-20-22-25-27/h9-10,20-22,24-25H,2-8,11-19,23,26H2,1H3,(H,29,30)
InChIKeyQEXBRNUYSVFDNO-UHFFFAOYSA-N
MW413.69 g/mol
LogP9.22
Rot. Bonds20

About N-phenyldocos-13-enamide

N-phenyldocos-13-enamide (PubChem CID 54224492) has the molecular formula C28H47NO and a molecular weight of 413.69 g/mol. Its IUPAC name is N-phenyldocos-13-enamide.

Molecular Properties

Compound NameN-phenyldocos-13-enamide
PubChem CID54224492
Molecular FormulaC28H47NO
Molecular Weight413.69 g/mol
Exact Mass413.37
IUPAC NameN-phenyldocos-13-enamide
SMILESCCCCCCCCC=CCCCCCCCCCCCC(=O)Nc1ccccc1
InChIInChI=1S/C28H47NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-26-28(30)29-27-24-21-20-22-25-27/h9-10,20-22,24-25H,2-8,11-19,23,26H2,1H3,(H,29,30)
InChIKeyQEXBRNUYSVFDNO-UHFFFAOYSA-N
XLogP9.22
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds20
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.69
LogP ≤ 59.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(Z)-N-phenyloctadec-9-enamide
CID 5354590
N-phenylpentacosanamide
CID 19025260
N-phenylheptatetracontanamide
CID 150503307
formamide;N-phenylheptanamide
CID 143464966
5-oxo-N-phenylheptadecanamide
CID 3308902
N-[4-(icosanoylamino)phenyl]icosanamide
CID 101291044
N-phenyldec-2-enamide
CID 72974313
4-(dodecanoylamino)-N-phenylbenzamide
CID 5109500
(Z)-N-(2-hydroxyphenyl)octadec-9-enamide
CID 52916764
2-(octadec-9-enoylamino)benzoic acid
CID 54292093
8-oxo-N-phenyloctanamide
CID 15739209
N-[4-[(E)-2-phenylethenyl]phenyl]dodecanamide
CID 127035783

Frequently Asked Questions

What is the IUPAC name of N-phenyldocos-13-enamide?
The IUPAC name of N-phenyldocos-13-enamide (CID 54224492) is N-phenyldocos-13-enamide.
What is the SMILES notation for N-phenyldocos-13-enamide?
The canonical SMILES for N-phenyldocos-13-enamide is CCCCCCCCC=CCCCCCCCCCCCC(=O)Nc1ccccc1.
What is the InChIKey of N-phenyldocos-13-enamide?
The InChIKey is QEXBRNUYSVFDNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H47NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-26-28(30)29-27-24-21-20-22-25-27/h9-10,20-22,24-25H,2-8,11-19,23,26H2,1H3,(H,29,30).
What are the key properties of N-phenyldocos-13-enamide?
N-phenyldocos-13-enamide has a molecular weight of 413.69 g/mol, XLogP of 9.22, 20 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyldocos-13-enamide is sourced from PubChem (CID 54224492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).