N'-(2-cyanophenyl)-N-pentyloxamide

C14H17N3O2 — CID 7541464

IUPACN'-(2-cyanophenyl)-N-pentyloxamide
SMILESCCCCCNC(=O)C(=O)Nc1ccccc1C#N
InChIInChI=1S/C14H17N3O2/c1-2-3-6-9-16-13(18)14(19)17-12-8-5-4-7-11(12)10-15/h4-5,7-8H,2-3,6,9H2,1H3,(H,16,18)(H,17,19)
InChIKeyBAEUMQBBBGQSHA-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.80
Rot. Bonds5

About N'-(2-cyanophenyl)-N-pentyloxamide

N'-(2-cyanophenyl)-N-pentyloxamide (PubChem CID 7541464) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is N'-(2-cyanophenyl)-N-pentyloxamide.

Molecular Properties

Compound NameN'-(2-cyanophenyl)-N-pentyloxamide
PubChem CID7541464
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC NameN'-(2-cyanophenyl)-N-pentyloxamide
SMILESCCCCCNC(=O)C(=O)Nc1ccccc1C#N
InChIInChI=1S/C14H17N3O2/c1-2-3-6-9-16-13(18)14(19)17-12-8-5-4-7-11(12)10-15/h4-5,7-8H,2-3,6,9H2,1H3,(H,16,18)(H,17,19)
InChIKeyBAEUMQBBBGQSHA-UHFFFAOYSA-N
XLogP1.80
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-cyanophenyl)-N-propyloxamide
CID 7292742
N'-(2-cyanophenyl)-N-pentylpropanediamide
CID 108951989
N'-(2-cyanophenyl)-N-(3-formamidopropyl)oxamide
CID 108501621
3-[[2-(2-cyanoanilino)-2-oxoacetyl]amino]propyl-dimethylazanium
CID 7292746
3-N-(2-cyanophenyl)-1-N-pentylbenzene-1,3-dicarboxamide
CID 109056342
N'-(2-chlorophenyl)-N-nonyloxamide
CID 126275868
N-butyl-N'-(2-hydroxyphenyl)oxamide
CID 108505091
N'-(2-cyanophenyl)-N-[2-(4-hydroxyphenyl)ethyl]oxamide
CID 108501500
2-(dodecylamino)benzonitrile
CID 63488308
N-[3-(1-benzofuran-2-yl)propyl]-N'-(2-cyanophenyl)oxamide
CID 119103412
6-(2-cyanoanilino)-N-pentylpyridine-3-carboxamide
CID 109161463
N'-tert-butyl-N-(2-cyanophenyl)oxamide
CID 44997713

Frequently Asked Questions

What is the IUPAC name of N'-(2-cyanophenyl)-N-pentyloxamide?
The IUPAC name of N'-(2-cyanophenyl)-N-pentyloxamide (CID 7541464) is N'-(2-cyanophenyl)-N-pentyloxamide.
What is the SMILES notation for N'-(2-cyanophenyl)-N-pentyloxamide?
The canonical SMILES for N'-(2-cyanophenyl)-N-pentyloxamide is CCCCCNC(=O)C(=O)Nc1ccccc1C#N.
What is the InChIKey of N'-(2-cyanophenyl)-N-pentyloxamide?
The InChIKey is BAEUMQBBBGQSHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-2-3-6-9-16-13(18)14(19)17-12-8-5-4-7-11(12)10-15/h4-5,7-8H,2-3,6,9H2,1H3,(H,16,18)(H,17,19).
What are the key properties of N'-(2-cyanophenyl)-N-pentyloxamide?
N'-(2-cyanophenyl)-N-pentyloxamide has a molecular weight of 259.31 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-cyanophenyl)-N-pentyloxamide is sourced from PubChem (CID 7541464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).