5-oxo-N-phenylheptadecanamide

C23H37NO2 — CID 3308902

IUPAC5-oxo-N-phenylheptadecanamide
SMILESCCCCCCCCCCCCC(=O)CCCC(=O)Nc1ccccc1
InChIInChI=1S/C23H37NO2/c1-2-3-4-5-6-7-8-9-10-14-18-22(25)19-15-20-23(26)24-21-16-12-11-13-17-21/h11-13,16-17H,2-10,14-15,18-20H2,1H3,(H,24,26)
InChIKeyKQAANLSCMIDLNH-UHFFFAOYSA-N
MW359.55 g/mol
LogP6.68
Rot. Bonds16

About 5-oxo-N-phenylheptadecanamide

5-oxo-N-phenylheptadecanamide (PubChem CID 3308902) has the molecular formula C23H37NO2 and a molecular weight of 359.55 g/mol. Its IUPAC name is 5-oxo-N-phenylheptadecanamide.

Molecular Properties

Compound Name5-oxo-N-phenylheptadecanamide
PubChem CID3308902
Molecular FormulaC23H37NO2
Molecular Weight359.55 g/mol
Exact Mass359.28
IUPAC Name5-oxo-N-phenylheptadecanamide
SMILESCCCCCCCCCCCCC(=O)CCCC(=O)Nc1ccccc1
InChIInChI=1S/C23H37NO2/c1-2-3-4-5-6-7-8-9-10-14-18-22(25)19-15-20-23(26)24-21-16-12-11-13-17-21/h11-13,16-17H,2-10,14-15,18-20H2,1H3,(H,24,26)
InChIKeyKQAANLSCMIDLNH-UHFFFAOYSA-N
XLogP6.68
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.55
LogP ≤ 56.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-phenylpentacosanamide
CID 19025260
N-phenylheptatetracontanamide
CID 150503307
formamide;N-phenylheptanamide
CID 143464966
(Z)-N-phenyloctadec-9-enamide
CID 5354590
N-phenyldocos-13-enamide
CID 54224492
N-[4-(icosanoylamino)phenyl]icosanamide
CID 101291044
1-(octanoylamino)-3-phenylurea
CID 5130887
4-(dodecanoylamino)-N-phenylbenzamide
CID 5109500
N-[4-[(E)-2-phenylethenyl]phenyl]dodecanamide
CID 127035783
N-[4-(heptanoylamino)phenyl]benzamide
CID 54789055
N-phenyl-10-sulfanyldecanamide
CID 89127946
7-bromo-N-phenylheptanamide
CID 11266084

Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-phenylheptadecanamide?
The IUPAC name of 5-oxo-N-phenylheptadecanamide (CID 3308902) is 5-oxo-N-phenylheptadecanamide.
What is the SMILES notation for 5-oxo-N-phenylheptadecanamide?
The canonical SMILES for 5-oxo-N-phenylheptadecanamide is CCCCCCCCCCCCC(=O)CCCC(=O)Nc1ccccc1.
What is the InChIKey of 5-oxo-N-phenylheptadecanamide?
The InChIKey is KQAANLSCMIDLNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37NO2/c1-2-3-4-5-6-7-8-9-10-14-18-22(25)19-15-20-23(26)24-21-16-12-11-13-17-21/h11-13,16-17H,2-10,14-15,18-20H2,1H3,(H,24,26).
What are the key properties of 5-oxo-N-phenylheptadecanamide?
5-oxo-N-phenylheptadecanamide has a molecular weight of 359.55 g/mol, XLogP of 6.68, 16 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N-phenylheptadecanamide is sourced from PubChem (CID 3308902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).