N-(4-hydroxycyclohexyl)adamantane-2-carboxamide

C17H27NO2 — CID 78914074

IUPACN-(4-hydroxycyclohexyl)adamantane-2-carboxamide
SMILESO=C(NC1CCC(O)CC1)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C17H27NO2/c19-15-3-1-14(2-4-15)18-17(20)16-12-6-10-5-11(8-12)9-13(16)7-10/h10-16,19H,1-9H2,(H,18,20)
InChIKeyPEKWCKSDBNPTGJ-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.48
Rot. Bonds2

About N-(4-hydroxycyclohexyl)adamantane-2-carboxamide

N-(4-hydroxycyclohexyl)adamantane-2-carboxamide (PubChem CID 78914074) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is N-(4-hydroxycyclohexyl)adamantane-2-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxycyclohexyl)adamantane-2-carboxamide
PubChem CID78914074
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC NameN-(4-hydroxycyclohexyl)adamantane-2-carboxamide
SMILESO=C(NC1CCC(O)CC1)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C17H27NO2/c19-15-3-1-14(2-4-15)18-17(20)16-12-6-10-5-11(8-12)9-13(16)7-10/h10-16,19H,1-9H2,(H,18,20)
InChIKeyPEKWCKSDBNPTGJ-UHFFFAOYSA-N
XLogP2.48
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxycyclohexyl)adamantane-2-carboxamide?
The IUPAC name of N-(4-hydroxycyclohexyl)adamantane-2-carboxamide (CID 78914074) is N-(4-hydroxycyclohexyl)adamantane-2-carboxamide.
What is the SMILES notation for N-(4-hydroxycyclohexyl)adamantane-2-carboxamide?
The canonical SMILES for N-(4-hydroxycyclohexyl)adamantane-2-carboxamide is O=C(NC1CCC(O)CC1)C1C2CC3CC(C2)CC1C3.
What is the InChIKey of N-(4-hydroxycyclohexyl)adamantane-2-carboxamide?
The InChIKey is PEKWCKSDBNPTGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c19-15-3-1-14(2-4-15)18-17(20)16-12-6-10-5-11(8-12)9-13(16)7-10/h10-16,19H,1-9H2,(H,18,20).
What are the key properties of N-(4-hydroxycyclohexyl)adamantane-2-carboxamide?
N-(4-hydroxycyclohexyl)adamantane-2-carboxamide has a molecular weight of 277.41 g/mol, XLogP of 2.48, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxycyclohexyl)adamantane-2-carboxamide is sourced from PubChem (CID 78914074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).