N-(3-morpholin-4-ium-4-ylpropyl)adamantane-1-carboxamide

C18H31N2O2+ — CID 7302787

IUPACN-(3-morpholin-4-ium-4-ylpropyl)adamantane-1-carboxamide
SMILESO=C(NCCC[NH+]1CCOCC1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H30N2O2/c21-17(19-2-1-3-20-4-6-22-7-5-20)18-11-14-8-15(12-18)10-16(9-14)13-18/h14-16H,1-13H2,(H,19,21)/p+1
InChIKeyQRJFNEXTJAMXDD-UHFFFAOYSA-O
MW307.46 g/mol
LogP0.62
Rot. Bonds5

About N-(3-morpholin-4-ium-4-ylpropyl)adamantane-1-carboxamide

N-(3-morpholin-4-ium-4-ylpropyl)adamantane-1-carboxamide (PubChem CID 7302787) has the molecular formula C18H31N2O2+ and a molecular weight of 307.46 g/mol. Its IUPAC name is N-(3-morpholin-4-ium-4-ylpropyl)adamantane-1-carboxamide.

Molecular Properties

Compound NameN-(3-morpholin-4-ium-4-ylpropyl)adamantane-1-carboxamide
PubChem CID7302787
Molecular FormulaC18H31N2O2+
Molecular Weight307.46 g/mol
Exact Mass307.24
IUPAC NameN-(3-morpholin-4-ium-4-ylpropyl)adamantane-1-carboxamide
SMILESO=C(NCCC[NH+]1CCOCC1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H30N2O2/c21-17(19-2-1-3-20-4-6-22-7-5-20)18-11-14-8-15(12-18)10-16(9-14)13-18/h14-16H,1-13H2,(H,19,21)/p+1
InChIKeyQRJFNEXTJAMXDD-UHFFFAOYSA-O
XLogP0.62
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-aminopropyl)adamantane-1-carboxamide
CID 3117359
N-(2-morpholin-4-ylethyl)adamantane-1-carboxamide
CID 2862149
N-(4-iodobutyl)adamantane-1-carboxamide
CID 106846336
N-(5-bromopentyl)adamantane-1-carboxamide
CID 107321772
1-(1-adamantyl)-3-(2-morpholin-4-ium-4-ylethyl)thiourea
CID 8014535
N-[3-(cyclopropylamino)propyl]adamantane-1-carboxamide
CID 43596349
7-(adamantane-1-carbonylamino)heptanoic acid
CID 71700197
N-(3-methoxypropyl)adamantane-1-carboxamide
CID 2805242
N-(4-azidobutyl)adamantane-1-carboxamide
CID 106386481
(2S)-2-[[2-(1-adamantyl)acetyl]amino]-N-(2-morpholin-4-ium-4-ylethyl)propanamide
CID 7394091
N-[2-(dimethylamino)ethyl]adamantane-1-carboxamide
CID 3041449
N-[2-(2-methyl-1,3-dioxan-2-yl)ethyl]adamantane-1-carboxamide
CID 110369811

Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-ium-4-ylpropyl)adamantane-1-carboxamide?
The IUPAC name of N-(3-morpholin-4-ium-4-ylpropyl)adamantane-1-carboxamide (CID 7302787) is N-(3-morpholin-4-ium-4-ylpropyl)adamantane-1-carboxamide.
What is the SMILES notation for N-(3-morpholin-4-ium-4-ylpropyl)adamantane-1-carboxamide?
The canonical SMILES for N-(3-morpholin-4-ium-4-ylpropyl)adamantane-1-carboxamide is O=C(NCCC[NH+]1CCOCC1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(3-morpholin-4-ium-4-ylpropyl)adamantane-1-carboxamide?
The InChIKey is QRJFNEXTJAMXDD-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H30N2O2/c21-17(19-2-1-3-20-4-6-22-7-5-20)18-11-14-8-15(12-18)10-16(9-14)13-18/h14-16H,1-13H2,(H,19,21)/p+1.
What are the key properties of N-(3-morpholin-4-ium-4-ylpropyl)adamantane-1-carboxamide?
N-(3-morpholin-4-ium-4-ylpropyl)adamantane-1-carboxamide has a molecular weight of 307.46 g/mol, XLogP of 0.62, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ium-4-ylpropyl)adamantane-1-carboxamide is sourced from PubChem (CID 7302787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).