N-[2-(octanoylamino)ethyl]-N-phenylbenzamide

C23H30N2O2 — CID 42704591

IUPACN-[2-(octanoylamino)ethyl]-N-phenylbenzamide
SMILESCCCCCCCC(=O)NCCN(C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C23H30N2O2/c1-2-3-4-5-12-17-22(26)24-18-19-25(21-15-10-7-11-16-21)23(27)20-13-8-6-9-14-20/h6-11,13-16H,2-5,12,17-19H2,1H3,(H,24,26)
InChIKeyJQJKKEWFOZNRQL-UHFFFAOYSA-N
MW366.50 g/mol
LogP4.81
Rot. Bonds11

About N-[2-(octanoylamino)ethyl]-N-phenylbenzamide

N-[2-(octanoylamino)ethyl]-N-phenylbenzamide (PubChem CID 42704591) has the molecular formula C23H30N2O2 and a molecular weight of 366.50 g/mol. Its IUPAC name is N-[2-(octanoylamino)ethyl]-N-phenylbenzamide.

Molecular Properties

Compound NameN-[2-(octanoylamino)ethyl]-N-phenylbenzamide
PubChem CID42704591
Molecular FormulaC23H30N2O2
Molecular Weight366.50 g/mol
Exact Mass366.23
IUPAC NameN-[2-(octanoylamino)ethyl]-N-phenylbenzamide
SMILESCCCCCCCC(=O)NCCN(C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C23H30N2O2/c1-2-3-4-5-12-17-22(26)24-18-19-25(21-15-10-7-11-16-21)23(27)20-13-8-6-9-14-20/h6-11,13-16H,2-5,12,17-19H2,1H3,(H,24,26)
InChIKeyJQJKKEWFOZNRQL-UHFFFAOYSA-N
XLogP4.81
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.50
LogP ≤ 54.81
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-[3-(pentanoylamino)propyl]-N-phenylbenzamide
CID 42705905
N-[2-[4-fluoro-N-(phenylcarbamoyl)anilino]ethyl]decanamide
CID 42705463
9-(N-benzoylanilino)nonanoic acid
CID 10066664
N'-butyl-N-heptanoylbenzohydrazide
CID 174288405
N-[3-(N-methylanilino)propyl]pentanamide
CID 78799629
N-hexadecyl-4-methoxy-N-phenylbenzamide
CID 13203872
N-[3-[benzyl(methyl)amino]propyl]octanamide
CID 173154177
3-(N-octanoylanilino)propanoic acid
CID 60831115
N-[2-[4-fluoro-N-[(2-methylphenyl)carbamoyl]anilino]ethyl]nonanamide
CID 42707250
N-[2-[4-fluoro-N-[(2-methylphenyl)carbamoyl]anilino]ethyl]heptanamide
CID 42707249
N-[3-(3-methylbutanoylamino)propyl]-N-phenyloctanamide
CID 42702502
N',N'-diphenyloctadecanehydrazide
CID 90855631

Frequently Asked Questions

What is the IUPAC name of N-[2-(octanoylamino)ethyl]-N-phenylbenzamide?
The IUPAC name of N-[2-(octanoylamino)ethyl]-N-phenylbenzamide (CID 42704591) is N-[2-(octanoylamino)ethyl]-N-phenylbenzamide.
What is the SMILES notation for N-[2-(octanoylamino)ethyl]-N-phenylbenzamide?
The canonical SMILES for N-[2-(octanoylamino)ethyl]-N-phenylbenzamide is CCCCCCCC(=O)NCCN(C(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of N-[2-(octanoylamino)ethyl]-N-phenylbenzamide?
The InChIKey is JQJKKEWFOZNRQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-2-3-4-5-12-17-22(26)24-18-19-25(21-15-10-7-11-16-21)23(27)20-13-8-6-9-14-20/h6-11,13-16H,2-5,12,17-19H2,1H3,(H,24,26).
What are the key properties of N-[2-(octanoylamino)ethyl]-N-phenylbenzamide?
N-[2-(octanoylamino)ethyl]-N-phenylbenzamide has a molecular weight of 366.50 g/mol, XLogP of 4.81, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(octanoylamino)ethyl]-N-phenylbenzamide is sourced from PubChem (CID 42704591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).