N-(5-chloropentyl)-N,3-dimethyladamantane-1-carboxamide

C18H30ClNO — CID 107205563

IUPACN-(5-chloropentyl)-N,3-dimethyladamantane-1-carboxamide
SMILESCN(CCCCCCl)C(=O)C12CC3CC(CC(C)(C3)C1)C2
InChIInChI=1S/C18H30ClNO/c1-17-9-14-8-15(10-17)12-18(11-14,13-17)16(21)20(2)7-5-3-4-6-19/h14-15H,3-13H2,1-2H3
InChIKeyHXZAVEFFVXVISD-UHFFFAOYSA-N
MW311.90 g/mol
LogP4.46
Rot. Bonds6

About N-(5-chloropentyl)-N,3-dimethyladamantane-1-carboxamide

N-(5-chloropentyl)-N,3-dimethyladamantane-1-carboxamide (PubChem CID 107205563) has the molecular formula C18H30ClNO and a molecular weight of 311.90 g/mol. Its IUPAC name is N-(5-chloropentyl)-N,3-dimethyladamantane-1-carboxamide.

Molecular Properties

Compound NameN-(5-chloropentyl)-N,3-dimethyladamantane-1-carboxamide
PubChem CID107205563
Molecular FormulaC18H30ClNO
Molecular Weight311.90 g/mol
Exact Mass311.20
IUPAC NameN-(5-chloropentyl)-N,3-dimethyladamantane-1-carboxamide
SMILESCN(CCCCCCl)C(=O)C12CC3CC(CC(C)(C3)C1)C2
InChIInChI=1S/C18H30ClNO/c1-17-9-14-8-15(10-17)12-18(11-14,13-17)16(21)20(2)7-5-3-4-6-19/h14-15H,3-13H2,1-2H3
InChIKeyHXZAVEFFVXVISD-UHFFFAOYSA-N
XLogP4.46
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.90
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(5-chloropentyl)-N,3-dimethyladamantane-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-(5-chloropentyl)-N,3-dimethyladamantane-1-carboxamide?
The IUPAC name of N-(5-chloropentyl)-N,3-dimethyladamantane-1-carboxamide (CID 107205563) is N-(5-chloropentyl)-N,3-dimethyladamantane-1-carboxamide.
What is the SMILES notation for N-(5-chloropentyl)-N,3-dimethyladamantane-1-carboxamide?
The canonical SMILES for N-(5-chloropentyl)-N,3-dimethyladamantane-1-carboxamide is CN(CCCCCCl)C(=O)C12CC3CC(CC(C)(C3)C1)C2.
What is the InChIKey of N-(5-chloropentyl)-N,3-dimethyladamantane-1-carboxamide?
The InChIKey is HXZAVEFFVXVISD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30ClNO/c1-17-9-14-8-15(10-17)12-18(11-14,13-17)16(21)20(2)7-5-3-4-6-19/h14-15H,3-13H2,1-2H3.
What are the key properties of N-(5-chloropentyl)-N,3-dimethyladamantane-1-carboxamide?
N-(5-chloropentyl)-N,3-dimethyladamantane-1-carboxamide has a molecular weight of 311.90 g/mol, XLogP of 4.46, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloropentyl)-N,3-dimethyladamantane-1-carboxamide is sourced from PubChem (CID 107205563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).