N-[1-(hydroxymethyl)cyclopentyl]adamantane-1-carboxamide

C17H27NO2 — CID 62518725

IUPACN-[1-(hydroxymethyl)cyclopentyl]adamantane-1-carboxamide
SMILESO=C(NC1(CO)CCCC1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H27NO2/c19-11-17(3-1-2-4-17)18-15(20)16-8-12-5-13(9-16)7-14(6-12)10-16/h12-14,19H,1-11H2,(H,18,20)
InChIKeyVNQKURCCNLJFKC-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.62
Rot. Bonds3

About N-[1-(hydroxymethyl)cyclopentyl]adamantane-1-carboxamide

N-[1-(hydroxymethyl)cyclopentyl]adamantane-1-carboxamide (PubChem CID 62518725) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)cyclopentyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)cyclopentyl]adamantane-1-carboxamide
PubChem CID62518725
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC NameN-[1-(hydroxymethyl)cyclopentyl]adamantane-1-carboxamide
SMILESO=C(NC1(CO)CCCC1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H27NO2/c19-11-17(3-1-2-4-17)18-15(20)16-8-12-5-13(9-16)7-14(6-12)10-16/h12-14,19H,1-11H2,(H,18,20)
InChIKeyVNQKURCCNLJFKC-UHFFFAOYSA-N
XLogP2.62
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxymethyl)cyclopentyl]adamantane-1-carboxamide?
The IUPAC name of N-[1-(hydroxymethyl)cyclopentyl]adamantane-1-carboxamide (CID 62518725) is N-[1-(hydroxymethyl)cyclopentyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[1-(hydroxymethyl)cyclopentyl]adamantane-1-carboxamide?
The canonical SMILES for N-[1-(hydroxymethyl)cyclopentyl]adamantane-1-carboxamide is O=C(NC1(CO)CCCC1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[1-(hydroxymethyl)cyclopentyl]adamantane-1-carboxamide?
The InChIKey is VNQKURCCNLJFKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c19-11-17(3-1-2-4-17)18-15(20)16-8-12-5-13(9-16)7-14(6-12)10-16/h12-14,19H,1-11H2,(H,18,20).
What are the key properties of N-[1-(hydroxymethyl)cyclopentyl]adamantane-1-carboxamide?
N-[1-(hydroxymethyl)cyclopentyl]adamantane-1-carboxamide has a molecular weight of 277.41 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(hydroxymethyl)cyclopentyl]adamantane-1-carboxamide is sourced from PubChem (CID 62518725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).