hexanediamide;naphthalene

C16H20N2O2 — CID 175366237

IUPAChexanediamide;naphthalene
SMILESNC(=O)CCCCC(N)=O.c1ccc2ccccc2c1
InChIInChI=1S/C10H8.C6H12N2O2/c1-2-6-10-8-4-3-7-9(10)5-1;7-5(9)3-1-2-4-6(8)10/h1-8H;1-4H2,(H2,7,9)(H2,8,10)
InChIKeyCYBKJGIOEPGXSH-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.36
Rot. Bonds5

About hexanediamide;naphthalene

hexanediamide;naphthalene (PubChem CID 175366237) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is hexanediamide;naphthalene.

Molecular Properties

Compound Namehexanediamide;naphthalene
PubChem CID175366237
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Namehexanediamide;naphthalene
SMILESNC(=O)CCCCC(N)=O.c1ccc2ccccc2c1
InChIInChI=1S/C10H8.C6H12N2O2/c1-2-6-10-8-4-3-7-9(10)5-1;7-5(9)3-1-2-4-6(8)10/h1-8H;1-4H2,(H2,7,9)(H2,8,10)
InChIKeyCYBKJGIOEPGXSH-UHFFFAOYSA-N
XLogP2.36
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

carbamic acid;naphthalene
CID 162082147
hexanediamide;hydrazine
CID 160978463
docosanediamide;hexacosanediamide
CID 129179979
dodecanediamide;nonanediamide
CID 175017820
nonatetracontanediamide
CID 162734608
pentadecanediamide
CID 87429217
hexanediamide;hydrazine
CID 160854105
N',N'-diphenyldodecanediamide
CID 70400318
5-oxo-5-phenylpentanamide
CID 3787245
5-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]pentanamide
CID 106237033
hexanamide;phthalic acid
CID 159778698
5-(1,3-dioxoisoindol-2-yl)pentanamide
CID 86775352

Frequently Asked Questions

What is the IUPAC name of hexanediamide;naphthalene?
The IUPAC name of hexanediamide;naphthalene (CID 175366237) is hexanediamide;naphthalene.
What is the SMILES notation for hexanediamide;naphthalene?
The canonical SMILES for hexanediamide;naphthalene is NC(=O)CCCCC(N)=O.c1ccc2ccccc2c1.
What is the InChIKey of hexanediamide;naphthalene?
The InChIKey is CYBKJGIOEPGXSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8.C6H12N2O2/c1-2-6-10-8-4-3-7-9(10)5-1;7-5(9)3-1-2-4-6(8)10/h1-8H;1-4H2,(H2,7,9)(H2,8,10).
What are the key properties of hexanediamide;naphthalene?
hexanediamide;naphthalene has a molecular weight of 272.35 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hexanediamide;naphthalene is sourced from PubChem (CID 175366237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).