N-octadecylnaphthalene-2-carboxamide

C29H45NO — CID 20549010

IUPACN-octadecylnaphthalene-2-carboxamide
SMILESCCCCCCCCCCCCCCCCCCNC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C29H45NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-24-30-29(31)28-23-22-26-20-17-18-21-27(26)25-28/h17-18,20-23,25H,2-16,19,24H2,1H3,(H,30,31)
InChIKeyXSWGQZCVCBXQPQ-UHFFFAOYSA-N
MW423.69 g/mol
LogP8.83
Rot. Bonds18

About N-octadecylnaphthalene-2-carboxamide

N-octadecylnaphthalene-2-carboxamide (PubChem CID 20549010) has the molecular formula C29H45NO and a molecular weight of 423.69 g/mol. Its IUPAC name is N-octadecylnaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-octadecylnaphthalene-2-carboxamide
PubChem CID20549010
Molecular FormulaC29H45NO
Molecular Weight423.69 g/mol
Exact Mass423.35
IUPAC NameN-octadecylnaphthalene-2-carboxamide
SMILESCCCCCCCCCCCCCCCCCCNC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C29H45NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-24-30-29(31)28-23-22-26-20-17-18-21-27(26)25-28/h17-18,20-23,25H,2-16,19,24H2,1H3,(H,30,31)
InChIKeyXSWGQZCVCBXQPQ-UHFFFAOYSA-N
XLogP8.83
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.69
LogP ≤ 58.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-octadecylnaphthalene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-heptylnaphthalene-2-carboxamide
CID 91722099
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-octadecylnaphthalene-2-carboxamide?
The IUPAC name of N-octadecylnaphthalene-2-carboxamide (CID 20549010) is N-octadecylnaphthalene-2-carboxamide.
What is the SMILES notation for N-octadecylnaphthalene-2-carboxamide?
The canonical SMILES for N-octadecylnaphthalene-2-carboxamide is CCCCCCCCCCCCCCCCCCNC(=O)c1ccc2ccccc2c1.
What is the InChIKey of N-octadecylnaphthalene-2-carboxamide?
The InChIKey is XSWGQZCVCBXQPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H45NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-24-30-29(31)28-23-22-26-20-17-18-21-27(26)25-28/h17-18,20-23,25H,2-16,19,24H2,1H3,(H,30,31).
What are the key properties of N-octadecylnaphthalene-2-carboxamide?
N-octadecylnaphthalene-2-carboxamide has a molecular weight of 423.69 g/mol, XLogP of 8.83, 18 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-octadecylnaphthalene-2-carboxamide is sourced from PubChem (CID 20549010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).