N-(2-morpholin-4-ylethyl)adamantane-2-carboxamide

C17H28N2O2 — CID 51250747

IUPACN-(2-morpholin-4-ylethyl)adamantane-2-carboxamide
SMILESO=C(NCCN1CCOCC1)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C17H28N2O2/c20-17(18-1-2-19-3-5-21-6-4-19)16-14-8-12-7-13(10-14)11-15(16)9-12/h12-16H,1-11H2,(H,18,20)
InChIKeyXREVOXKFCQWUEQ-UHFFFAOYSA-N
MW292.42 g/mol
LogP1.51
Rot. Bonds4

About N-(2-morpholin-4-ylethyl)adamantane-2-carboxamide

N-(2-morpholin-4-ylethyl)adamantane-2-carboxamide (PubChem CID 51250747) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)adamantane-2-carboxamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)adamantane-2-carboxamide
PubChem CID51250747
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC NameN-(2-morpholin-4-ylethyl)adamantane-2-carboxamide
SMILESO=C(NCCN1CCOCC1)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C17H28N2O2/c20-17(18-1-2-19-3-5-21-6-4-19)16-14-8-12-7-13(10-14)11-15(16)9-12/h12-16H,1-11H2,(H,18,20)
InChIKeyXREVOXKFCQWUEQ-UHFFFAOYSA-N
XLogP1.51
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-(4-methylpiperazin-1-yl)pentyl]adamantane-2-carboxamide
CID 110445464
(1S,5R)-6-(2-morpholin-4-ylethylcarbamoyl)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid
CID 134346993
N-(2-morpholin-4-ylethyl)adamantane-1-carboxamide
CID 2862149
N-(2-methyl-2-morpholin-4-ylpropyl)adamantane-2-carboxamide
CID 51251027
3-(2-morpholin-4-ylethylcarbamoyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 68666196
4-methyl-2-(2-morpholin-4-ylethylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114390357
(1S,2R,4S)-N-(3-morpholin-4-ylpropyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 7079828
N-propyladamantane-2-carboxamide
CID 78913673
N-(2-morpholin-4-ylethyl)-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide
CID 3448160
3-chloro-5-methylidene-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide
CID 123912701
N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-2-carboxamide
CID 110689653
2-amino-5-methyl-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide
CID 65454339

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)adamantane-2-carboxamide?
The IUPAC name of N-(2-morpholin-4-ylethyl)adamantane-2-carboxamide (CID 51250747) is N-(2-morpholin-4-ylethyl)adamantane-2-carboxamide.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)adamantane-2-carboxamide?
The canonical SMILES for N-(2-morpholin-4-ylethyl)adamantane-2-carboxamide is O=C(NCCN1CCOCC1)C1C2CC3CC(C2)CC1C3.
What is the InChIKey of N-(2-morpholin-4-ylethyl)adamantane-2-carboxamide?
The InChIKey is XREVOXKFCQWUEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c20-17(18-1-2-19-3-5-21-6-4-19)16-14-8-12-7-13(10-14)11-15(16)9-12/h12-16H,1-11H2,(H,18,20).
What are the key properties of N-(2-morpholin-4-ylethyl)adamantane-2-carboxamide?
N-(2-morpholin-4-ylethyl)adamantane-2-carboxamide has a molecular weight of 292.42 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)adamantane-2-carboxamide is sourced from PubChem (CID 51250747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).