N-(2-phenylacetyl)octadecanamide

C26H43NO2 — CID 175258087

IUPACN-(2-phenylacetyl)octadecanamide
SMILESCCCCCCCCCCCCCCCCCC(=O)NC(=O)Cc1ccccc1
InChIInChI=1S/C26H43NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-25(28)27-26(29)23-24-20-17-16-18-21-24/h16-18,20-21H,2-15,19,22-23H2,1H3,(H,27,28,29)
InChIKeyOHDNBVXQKQLJRK-UHFFFAOYSA-N
MW401.64 g/mol
LogP7.13
Rot. Bonds18

About N-(2-phenylacetyl)octadecanamide

N-(2-phenylacetyl)octadecanamide (PubChem CID 175258087) has the molecular formula C26H43NO2 and a molecular weight of 401.64 g/mol. Its IUPAC name is N-(2-phenylacetyl)octadecanamide.

Molecular Properties

Compound NameN-(2-phenylacetyl)octadecanamide
PubChem CID175258087
Molecular FormulaC26H43NO2
Molecular Weight401.64 g/mol
Exact Mass401.33
IUPAC NameN-(2-phenylacetyl)octadecanamide
SMILESCCCCCCCCCCCCCCCCCC(=O)NC(=O)Cc1ccccc1
InChIInChI=1S/C26H43NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-25(28)27-26(29)23-24-20-17-16-18-21-24/h16-18,20-21H,2-15,19,22-23H2,1H3,(H,27,28,29)
InChIKeyOHDNBVXQKQLJRK-UHFFFAOYSA-N
XLogP7.13
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.64
LogP ≤ 57.13
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

1-phenylheptadecan-2-one
CID 12920609
N-benzylundecanamide
CID 5078198
N-decanoyldecanamide
CID 87914075
N-octanoyloctanamide;hydrobromide
CID 175059894
N'-benzylhexadecanehydrazide
CID 154391297
N-(2-phenylethylcarbamothioyl)heptanamide
CID 54789032
N-phenylheptatetracontanamide
CID 150503307
N-phenylpentacosanamide
CID 19025260
N',N'-diphenyloctadecanehydrazide
CID 90855631
N-[(2S)-1-phenylpropan-2-yl]heptanamide
CID 102304960
N-[[2-[(tricosanoylamino)methyl]phenyl]methyl]tricosanamide
CID 101291084
formamide;N-phenylheptanamide
CID 143464966

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylacetyl)octadecanamide?
The IUPAC name of N-(2-phenylacetyl)octadecanamide (CID 175258087) is N-(2-phenylacetyl)octadecanamide.
What is the SMILES notation for N-(2-phenylacetyl)octadecanamide?
The canonical SMILES for N-(2-phenylacetyl)octadecanamide is CCCCCCCCCCCCCCCCCC(=O)NC(=O)Cc1ccccc1.
What is the InChIKey of N-(2-phenylacetyl)octadecanamide?
The InChIKey is OHDNBVXQKQLJRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H43NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-25(28)27-26(29)23-24-20-17-16-18-21-24/h16-18,20-21H,2-15,19,22-23H2,1H3,(H,27,28,29).
What are the key properties of N-(2-phenylacetyl)octadecanamide?
N-(2-phenylacetyl)octadecanamide has a molecular weight of 401.64 g/mol, XLogP of 7.13, 18 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylacetyl)octadecanamide is sourced from PubChem (CID 175258087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).