N-(2-hydroxypropyl)adamantane-1-carboxamide

C14H23NO2 — CID 2926775

IUPACN-(2-hydroxypropyl)adamantane-1-carboxamide
SMILESCC(O)CNC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C14H23NO2/c1-9(16)8-15-13(17)14-5-10-2-11(6-14)4-12(3-10)7-14/h9-12,16H,2-8H2,1H3,(H,15,17)
InChIKeyDLGQXFTYNRGCOX-UHFFFAOYSA-N
MW237.34 g/mol
LogP1.70
Rot. Bonds3

About N-(2-hydroxypropyl)adamantane-1-carboxamide

N-(2-hydroxypropyl)adamantane-1-carboxamide (PubChem CID 2926775) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is N-(2-hydroxypropyl)adamantane-1-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxypropyl)adamantane-1-carboxamide
PubChem CID2926775
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC NameN-(2-hydroxypropyl)adamantane-1-carboxamide
SMILESCC(O)CNC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C14H23NO2/c1-9(16)8-15-13(17)14-5-10-2-11(6-14)4-12(3-10)7-14/h9-12,16H,2-8H2,1H3,(H,15,17)
InChIKeyDLGQXFTYNRGCOX-UHFFFAOYSA-N
XLogP1.70
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(Adamantan-1-yl)acetamido]acetic acid
CID 975120
2-(1-adamantyl)-N-(hydroxymethyl)acetamide
CID 767017
1-((3r,5r,7r)-Adamantan-1-yl)-2-((2-hydroxyethyl)amino)propan-1-one hydrochloride
CID 6603368
2-(1-adamantyl)-N-(4-hydroxybutyl)acetamide
CID 106843602
N-butyladamantane-1-carboxamide
CID 585486
Tricyclo(3.3.1.1(sup 3,7))decane-1-carboxamide, N,N'-(2-hydroxy-1,3-propanediyl)bis-
CID 3071720
Adamantane-1-carboxylic acid (3-hydroxy-propyl)-amide
CID 1933432
N-(2-hydroxyethyl)adamantane-1-carboxamide
CID 1898785
2-(1-Adamantyl)-N-(2-hydroxy-1,1-dimethylethyl)acetamide
CID 2874063
N-(2-hydroxyethyl)-3,5,7-trimethyladamantane-1-carboxamide
CID 2836014
N-(3-methoxypropyl)adamantane-1-carboxamide
CID 2805242
N-(2-hydroxyethyl)tricyclo[4.3.1.1~3,8~]undecane-1-carboxamide
CID 2836017

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxypropyl)adamantane-1-carboxamide?
The IUPAC name of N-(2-hydroxypropyl)adamantane-1-carboxamide (CID 2926775) is N-(2-hydroxypropyl)adamantane-1-carboxamide.
What is the SMILES notation for N-(2-hydroxypropyl)adamantane-1-carboxamide?
The canonical SMILES for N-(2-hydroxypropyl)adamantane-1-carboxamide is CC(O)CNC(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(2-hydroxypropyl)adamantane-1-carboxamide?
The InChIKey is DLGQXFTYNRGCOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-9(16)8-15-13(17)14-5-10-2-11(6-14)4-12(3-10)7-14/h9-12,16H,2-8H2,1H3,(H,15,17).
What are the key properties of N-(2-hydroxypropyl)adamantane-1-carboxamide?
N-(2-hydroxypropyl)adamantane-1-carboxamide has a molecular weight of 237.34 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxypropyl)adamantane-1-carboxamide is sourced from PubChem (CID 2926775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).