N-(2-morpholin-4-ylethyl)adamantane-1-carboxamide

C17H28N2O2 — CID 2862149

IUPACN-(2-morpholin-4-ylethyl)adamantane-1-carboxamide
SMILESO=C(NCCN1CCOCC1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H28N2O2/c20-16(18-1-2-19-3-5-21-6-4-19)17-10-13-7-14(11-17)9-15(8-13)12-17/h13-15H,1-12H2,(H,18,20)
InChIKeyFTDAWJGUOPEVEB-UHFFFAOYSA-N
MW292.42 g/mol
LogP1.65
Rot. Bonds4

About N-(2-morpholin-4-ylethyl)adamantane-1-carboxamide

N-(2-morpholin-4-ylethyl)adamantane-1-carboxamide (PubChem CID 2862149) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)adamantane-1-carboxamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)adamantane-1-carboxamide
PubChem CID2862149
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC NameN-(2-morpholin-4-ylethyl)adamantane-1-carboxamide
SMILESO=C(NCCN1CCOCC1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H28N2O2/c20-16(18-1-2-19-3-5-21-6-4-19)17-10-13-7-14(11-17)9-15(8-13)12-17/h13-15H,1-12H2,(H,18,20)
InChIKeyFTDAWJGUOPEVEB-UHFFFAOYSA-N
XLogP1.65
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 ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-morpholin-4-ylethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 62095713
3-(1-adamantyl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]but-2-enamide
CID 103599344
N-(2-morpholin-4-ylethyl)adamantane-2-carboxamide
CID 51250747
N-[4-[[4-(morpholin-4-ylmethyl)phenyl]methylamino]-4-oxobutyl]adamantane-1-carboxamide
CID 31446028
N-(3-morpholin-4-ium-4-ylpropyl)adamantane-1-carboxamide
CID 7302787
N-[2-(6-methylsulfanyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]adamantane-1-carboxamide
CID 16901812
2-morpholin-4-yl-1-(1-tricyclo[4.3.1.13,8]undecanyl)ethanone
CID 2874634
1-amino-3-methyl-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide
CID 64548791
1-N'-butan-2-yl-1-N-(2-morpholin-4-ylethyl)cyclopropane-1,1-dicarboxamide
CID 108971375
N-[4-[[1-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]-4-oxobutyl]adamantane-1-carboxamide
CID 24505107
N-(morpholine-4-carbothioyl)adamantane-1-carboxamide
CID 2830735
1-N'-cycloheptyl-1-N-(2-morpholin-4-ylethyl)cyclopropane-1,1-dicarboxamide
CID 108973625

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)adamantane-1-carboxamide?
The IUPAC name of N-(2-morpholin-4-ylethyl)adamantane-1-carboxamide (CID 2862149) is N-(2-morpholin-4-ylethyl)adamantane-1-carboxamide.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)adamantane-1-carboxamide?
The canonical SMILES for N-(2-morpholin-4-ylethyl)adamantane-1-carboxamide is O=C(NCCN1CCOCC1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(2-morpholin-4-ylethyl)adamantane-1-carboxamide?
The InChIKey is FTDAWJGUOPEVEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c20-16(18-1-2-19-3-5-21-6-4-19)17-10-13-7-14(11-17)9-15(8-13)12-17/h13-15H,1-12H2,(H,18,20).
What are the key properties of N-(2-morpholin-4-ylethyl)adamantane-1-carboxamide?
N-(2-morpholin-4-ylethyl)adamantane-1-carboxamide has a molecular weight of 292.42 g/mol, XLogP of 1.65, 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-1-carboxamide is sourced from PubChem (CID 2862149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).