3-hydroxy-N-(3-methylbutyl)adamantane-1-carboxamide

C16H27NO2 — CID 4834141

IUPAC3-hydroxy-N-(3-methylbutyl)adamantane-1-carboxamide
SMILESCC(C)CCNC(=O)C12CC3CC(CC(O)(C3)C1)C2
InChIInChI=1S/C16H27NO2/c1-11(2)3-4-17-14(18)15-6-12-5-13(7-15)9-16(19,8-12)10-15/h11-13,19H,3-10H2,1-2H3,(H,17,18)
InChIKeyJSZMINCDIDEIAA-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.48
Rot. Bonds4

About 3-hydroxy-N-(3-methylbutyl)adamantane-1-carboxamide

3-hydroxy-N-(3-methylbutyl)adamantane-1-carboxamide (PubChem CID 4834141) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 3-hydroxy-N-(3-methylbutyl)adamantane-1-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-(3-methylbutyl)adamantane-1-carboxamide
PubChem CID4834141
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name3-hydroxy-N-(3-methylbutyl)adamantane-1-carboxamide
SMILESCC(C)CCNC(=O)C12CC3CC(CC(O)(C3)C1)C2
InChIInChI=1S/C16H27NO2/c1-11(2)3-4-17-14(18)15-6-12-5-13(7-15)9-16(19,8-12)10-15/h11-13,19H,3-10H2,1-2H3,(H,17,18)
InChIKeyJSZMINCDIDEIAA-UHFFFAOYSA-N
XLogP2.48
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-(3-methylbutyl)adamantane-1-carboxamide?
The IUPAC name of 3-hydroxy-N-(3-methylbutyl)adamantane-1-carboxamide (CID 4834141) is 3-hydroxy-N-(3-methylbutyl)adamantane-1-carboxamide.
What is the SMILES notation for 3-hydroxy-N-(3-methylbutyl)adamantane-1-carboxamide?
The canonical SMILES for 3-hydroxy-N-(3-methylbutyl)adamantane-1-carboxamide is CC(C)CCNC(=O)C12CC3CC(CC(O)(C3)C1)C2.
What is the InChIKey of 3-hydroxy-N-(3-methylbutyl)adamantane-1-carboxamide?
The InChIKey is JSZMINCDIDEIAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-11(2)3-4-17-14(18)15-6-12-5-13(7-15)9-16(19,8-12)10-15/h11-13,19H,3-10H2,1-2H3,(H,17,18).
What are the key properties of 3-hydroxy-N-(3-methylbutyl)adamantane-1-carboxamide?
3-hydroxy-N-(3-methylbutyl)adamantane-1-carboxamide has a molecular weight of 265.40 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-(3-methylbutyl)adamantane-1-carboxamide is sourced from PubChem (CID 4834141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).