N-(2-hydroxyethyl)-3,5,7-trimethyladamantane-1-carboxamide

C16H27NO2 — CID 2836014

IUPACN-(2-hydroxyethyl)-3,5,7-trimethyladamantane-1-carboxamide
SMILESCC12CC3(C)CC(C)(C1)CC(C(=O)NCCO)(C2)C3
InChIInChI=1S/C16H27NO2/c1-13-6-14(2)8-15(3,7-13)11-16(9-13,10-14)12(19)17-4-5-18/h18H,4-11H2,1-3H3,(H,17,19)
InChIKeyOPLNHDLUCZTHSN-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.48
Rot. Bonds3

About N-(2-hydroxyethyl)-3,5,7-trimethyladamantane-1-carboxamide

N-(2-hydroxyethyl)-3,5,7-trimethyladamantane-1-carboxamide (PubChem CID 2836014) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-3,5,7-trimethyladamantane-1-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-3,5,7-trimethyladamantane-1-carboxamide
PubChem CID2836014
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC NameN-(2-hydroxyethyl)-3,5,7-trimethyladamantane-1-carboxamide
SMILESCC12CC3(C)CC(C)(C1)CC(C(=O)NCCO)(C2)C3
InChIInChI=1S/C16H27NO2/c1-13-6-14(2)8-15(3,7-13)11-16(9-13,10-14)12(19)17-4-5-18/h18H,4-11H2,1-3H3,(H,17,19)
InChIKeyOPLNHDLUCZTHSN-UHFFFAOYSA-N
XLogP2.48
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
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 N-(2-hydroxyethyl)-3,5,7-trimethyladamantane-1-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-3,5,7-trimethyladamantane-1-carboxamide (CID 2836014) is N-(2-hydroxyethyl)-3,5,7-trimethyladamantane-1-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-3,5,7-trimethyladamantane-1-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-3,5,7-trimethyladamantane-1-carboxamide is CC12CC3(C)CC(C)(C1)CC(C(=O)NCCO)(C2)C3.
What is the InChIKey of N-(2-hydroxyethyl)-3,5,7-trimethyladamantane-1-carboxamide?
The InChIKey is OPLNHDLUCZTHSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-13-6-14(2)8-15(3,7-13)11-16(9-13,10-14)12(19)17-4-5-18/h18H,4-11H2,1-3H3,(H,17,19).
What are the key properties of N-(2-hydroxyethyl)-3,5,7-trimethyladamantane-1-carboxamide?
N-(2-hydroxyethyl)-3,5,7-trimethyladamantane-1-carboxamide has a molecular weight of 265.40 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-3,5,7-trimethyladamantane-1-carboxamide is sourced from PubChem (CID 2836014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).