N-octadecyladamantane-1-carboxamide

C29H53NO — CID 86008989

IUPACN-octadecyladamantane-1-carboxamide
SMILESCCCCCCCCCCCCCCCCCCNC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C29H53NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-30-28(31)29-22-25-19-26(23-29)21-27(20-25)24-29/h25-27H,2-24H2,1H3,(H,30,31)
InChIKeySENRXDNUMWGGST-UHFFFAOYSA-N
MW431.75 g/mol
LogP8.58
Rot. Bonds18

About N-octadecyladamantane-1-carboxamide

N-octadecyladamantane-1-carboxamide (PubChem CID 86008989) has the molecular formula C29H53NO and a molecular weight of 431.75 g/mol. Its IUPAC name is N-octadecyladamantane-1-carboxamide.

Molecular Properties

Compound NameN-octadecyladamantane-1-carboxamide
PubChem CID86008989
Molecular FormulaC29H53NO
Molecular Weight431.75 g/mol
Exact Mass431.41
IUPAC NameN-octadecyladamantane-1-carboxamide
SMILESCCCCCCCCCCCCCCCCCCNC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C29H53NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-30-28(31)29-22-25-19-26(23-29)21-27(20-25)24-29/h25-27H,2-24H2,1H3,(H,30,31)
InChIKeySENRXDNUMWGGST-UHFFFAOYSA-N
XLogP8.58
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.75
LogP ≤ 58.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-octadecyladamantane-1-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-octadecyladamantane-1-carboxamide?
The IUPAC name of N-octadecyladamantane-1-carboxamide (CID 86008989) is N-octadecyladamantane-1-carboxamide.
What is the SMILES notation for N-octadecyladamantane-1-carboxamide?
The canonical SMILES for N-octadecyladamantane-1-carboxamide is CCCCCCCCCCCCCCCCCCNC(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-octadecyladamantane-1-carboxamide?
The InChIKey is SENRXDNUMWGGST-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H53NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-30-28(31)29-22-25-19-26(23-29)21-27(20-25)24-29/h25-27H,2-24H2,1H3,(H,30,31).
What are the key properties of N-octadecyladamantane-1-carboxamide?
N-octadecyladamantane-1-carboxamide has a molecular weight of 431.75 g/mol, XLogP of 8.58, 18 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-octadecyladamantane-1-carboxamide is sourced from PubChem (CID 86008989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).