N-heptylnaphthalene-2-carboxamide

C18H23NO — CID 91722099

IUPACN-heptylnaphthalene-2-carboxamide
SMILESCCCCCCCNC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C18H23NO/c1-2-3-4-5-8-13-19-18(20)17-12-11-15-9-6-7-10-16(15)14-17/h6-7,9-12,14H,2-5,8,13H2,1H3,(H,19,20)
InChIKeyWKOCNPBMHRKZNP-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.54
Rot. Bonds7

About N-heptylnaphthalene-2-carboxamide

N-heptylnaphthalene-2-carboxamide (PubChem CID 91722099) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is N-heptylnaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-heptylnaphthalene-2-carboxamide
PubChem CID91722099
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC NameN-heptylnaphthalene-2-carboxamide
SMILESCCCCCCCNC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C18H23NO/c1-2-3-4-5-8-13-19-18(20)17-12-11-15-9-6-7-10-16(15)14-17/h6-7,9-12,14H,2-5,8,13H2,1H3,(H,19,20)
InChIKeyWKOCNPBMHRKZNP-UHFFFAOYSA-N
XLogP4.54
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-octadecylnaphthalene-2-carboxamide
CID 20549010
N-pentylnaphthalene-2-carboxamide
CID 91722098
N-[4-(naphthalene-2-carbonylamino)butyl]naphthalene-2-carboxamide
CID 101181857
N-propylnaphthalene-2-carboxamide
CID 6624536
[2-(hexylamino)-2-oxoethyl] 2-(naphthalene-2-carbonylamino)acetate
CID 8573841
N-hexylisoquinoline-6-carboxamide
CID 110485174
N-(3-aminopropyl)naphthalene-2-carboxamide
CID 24691516
methyl 5-(naphthalene-2-carbonylamino)pentanoate
CID 42598707
N-octylquinoline-6-carboxamide
CID 68863650
3-hydroxy-N-octylbenzamide
CID 115568584
N-hexyl-3,4-dimethylbenzamide
CID 4523484
N-(2-hydroxyethyl)naphthalene-2-carboxamide
CID 13288324

Frequently Asked Questions

What is the IUPAC name of N-heptylnaphthalene-2-carboxamide?
The IUPAC name of N-heptylnaphthalene-2-carboxamide (CID 91722099) is N-heptylnaphthalene-2-carboxamide.
What is the SMILES notation for N-heptylnaphthalene-2-carboxamide?
The canonical SMILES for N-heptylnaphthalene-2-carboxamide is CCCCCCCNC(=O)c1ccc2ccccc2c1.
What is the InChIKey of N-heptylnaphthalene-2-carboxamide?
The InChIKey is WKOCNPBMHRKZNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-2-3-4-5-8-13-19-18(20)17-12-11-15-9-6-7-10-16(15)14-17/h6-7,9-12,14H,2-5,8,13H2,1H3,(H,19,20).
What are the key properties of N-heptylnaphthalene-2-carboxamide?
N-heptylnaphthalene-2-carboxamide has a molecular weight of 269.39 g/mol, XLogP of 4.54, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptylnaphthalene-2-carboxamide is sourced from PubChem (CID 91722099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).