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

C18H31NO2 — CID 107318418

IUPACN-(5-hydroxypentyl)-3,5-dimethyladamantane-1-carboxamide
SMILESCC12CC3CC(C)(C1)CC(C(=O)NCCCCCO)(C3)C2
InChIInChI=1S/C18H31NO2/c1-16-8-14-9-17(2,11-16)13-18(10-14,12-16)15(21)19-6-4-3-5-7-20/h14,20H,3-13H2,1-2H3,(H,19,21)
InChIKeyHHZWYIBXLCUSER-UHFFFAOYSA-N
MW293.45 g/mol
LogP3.26
Rot. Bonds6

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

N-(5-hydroxypentyl)-3,5-dimethyladamantane-1-carboxamide (PubChem CID 107318418) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is N-(5-hydroxypentyl)-3,5-dimethyladamantane-1-carboxamide.

Molecular Properties

Compound NameN-(5-hydroxypentyl)-3,5-dimethyladamantane-1-carboxamide
PubChem CID107318418
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC NameN-(5-hydroxypentyl)-3,5-dimethyladamantane-1-carboxamide
SMILESCC12CC3CC(C)(C1)CC(C(=O)NCCCCCO)(C3)C2
InChIInChI=1S/C18H31NO2/c1-16-8-14-9-17(2,11-16)13-18(10-14,12-16)15(21)19-6-4-3-5-7-20/h14,20H,3-13H2,1-2H3,(H,19,21)
InChIKeyHHZWYIBXLCUSER-UHFFFAOYSA-N
XLogP3.26
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 53.26
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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Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxypentyl)-3,5-dimethyladamantane-1-carboxamide?
The IUPAC name of N-(5-hydroxypentyl)-3,5-dimethyladamantane-1-carboxamide (CID 107318418) is N-(5-hydroxypentyl)-3,5-dimethyladamantane-1-carboxamide.
What is the SMILES notation for N-(5-hydroxypentyl)-3,5-dimethyladamantane-1-carboxamide?
The canonical SMILES for N-(5-hydroxypentyl)-3,5-dimethyladamantane-1-carboxamide is CC12CC3CC(C)(C1)CC(C(=O)NCCCCCO)(C3)C2.
What is the InChIKey of N-(5-hydroxypentyl)-3,5-dimethyladamantane-1-carboxamide?
The InChIKey is HHZWYIBXLCUSER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO2/c1-16-8-14-9-17(2,11-16)13-18(10-14,12-16)15(21)19-6-4-3-5-7-20/h14,20H,3-13H2,1-2H3,(H,19,21).
What are the key properties of N-(5-hydroxypentyl)-3,5-dimethyladamantane-1-carboxamide?
N-(5-hydroxypentyl)-3,5-dimethyladamantane-1-carboxamide has a molecular weight of 293.45 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxypentyl)-3,5-dimethyladamantane-1-carboxamide is sourced from PubChem (CID 107318418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).