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

C17H29N2O2+ — CID 3468416

IUPACN-(2-morpholin-4-ium-4-ylethyl)adamantane-1-carboxamide
SMILESO=C(NCC[NH+]1CCOCC1)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)/p+1
InChIKeyFTDAWJGUOPEVEB-UHFFFAOYSA-O
MW293.43 g/mol
LogP0.23
Rot. Bonds4

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

N-(2-morpholin-4-ium-4-ylethyl)adamantane-1-carboxamide (PubChem CID 3468416) has the molecular formula C17H29N2O2+ and a molecular weight of 293.43 g/mol. Its IUPAC name is N-(2-morpholin-4-ium-4-ylethyl)adamantane-1-carboxamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ium-4-ylethyl)adamantane-1-carboxamide
PubChem CID3468416
Molecular FormulaC17H29N2O2+
Molecular Weight293.43 g/mol
Exact Mass293.22
IUPAC NameN-(2-morpholin-4-ium-4-ylethyl)adamantane-1-carboxamide
SMILESO=C(NCC[NH+]1CCOCC1)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)/p+1
InChIKeyFTDAWJGUOPEVEB-UHFFFAOYSA-O
XLogP0.23
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(2-morpholin-4-ium-4-ylethyl)adamantane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Adamantan-1-yl-piperazin-1-yl-methanone
CID 17233943
N-{1-(1-adamantyl)-2-[(2-methoxyethyl)amino]-2-oxoethyl}cyclohexanecarboxamide
CID 2960871
N-(2-morpholinoethyl)-4-pentylcyclohexanecarboxamide
CID 3731631
1-[2-(Adamantane-1-carbonylamino)acetyl]piperidine-3-carboxamide
CID 4782419
1-Adamantanecarboxylic acid, morpholide
CID 532249
Adamantane-1-carboxylic acid [1-(morpholine-4-carbonyl)-piperidin-4-yl]-amide
CID 653691
N-(1-adamantylmethyl)-2-morpholin-4-ylacetamide
CID 2858735
2-[4-(Adamantane-1-carbonyl)piperazin-1-yl]ethan-1-ol
CID 23794291
2-(1-adamantyl)-N-[2-(4-morpholinyl)ethyl]acetamide
CID 2940569
3-cyclohexyl-N-(2-morpholin-4-ylethyl)propanamide
CID 1537522
N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]adamantane-1-carboxamide
CID 3604544
2-(1-Adamantyl)-1-morpholin-4-ylethanone
CID 2741140

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ium-4-ylethyl)adamantane-1-carboxamide?
The IUPAC name of N-(2-morpholin-4-ium-4-ylethyl)adamantane-1-carboxamide (CID 3468416) is N-(2-morpholin-4-ium-4-ylethyl)adamantane-1-carboxamide.
What is the SMILES notation for N-(2-morpholin-4-ium-4-ylethyl)adamantane-1-carboxamide?
The canonical SMILES for N-(2-morpholin-4-ium-4-ylethyl)adamantane-1-carboxamide is O=C(NCC[NH+]1CCOCC1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(2-morpholin-4-ium-4-ylethyl)adamantane-1-carboxamide?
The InChIKey is FTDAWJGUOPEVEB-UHFFFAOYSA-O. 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)/p+1.
What are the key properties of N-(2-morpholin-4-ium-4-ylethyl)adamantane-1-carboxamide?
N-(2-morpholin-4-ium-4-ylethyl)adamantane-1-carboxamide has a molecular weight of 293.43 g/mol, XLogP of 0.23, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ium-4-ylethyl)adamantane-1-carboxamide is sourced from PubChem (CID 3468416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).