N-[(1R)-1-(1-adamantyl)-2-(2-morpholin-4-ium-4-ylethylamino)-2-oxoethyl]cyclohexanecarboxamide

C25H42N3O3+ — CID 7470935

IUPACN-[(1R)-1-(1-adamantyl)-2-(2-morpholin-4-ium-4-ylethylamino)-2-oxoethyl]cyclohexanecarboxamide
SMILESO=C(N[C@@H](C(=O)NCC[NH+]1CCOCC1)C12CC3CC(CC(C3)C1)C2)C1CCCCC1
InChIInChI=1S/C25H41N3O3/c29-23(21-4-2-1-3-5-21)27-22(24(30)26-6-7-28-8-10-31-11-9-28)25-15-18-12-19(16-25)14-20(13-18)17-25/h18-22H,1-17H2,(H,26,30)(H,27,29)/p+1/t18?,19?,20?,22-,25?/m0/s1
InChIKeyDZFPLIIZILEVQH-LFCNWEHWSA-O
MW432.63 g/mol
LogP1.30
Rot. Bonds7

About N-[(1R)-1-(1-adamantyl)-2-(2-morpholin-4-ium-4-ylethylamino)-2-oxoethyl]cyclohexanecarboxamide

N-[(1R)-1-(1-adamantyl)-2-(2-morpholin-4-ium-4-ylethylamino)-2-oxoethyl]cyclohexanecarboxamide (PubChem CID 7470935) has the molecular formula C25H42N3O3+ and a molecular weight of 432.63 g/mol. Its IUPAC name is N-[(1R)-1-(1-adamantyl)-2-(2-morpholin-4-ium-4-ylethylamino)-2-oxoethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(1-adamantyl)-2-(2-morpholin-4-ium-4-ylethylamino)-2-oxoethyl]cyclohexanecarboxamide
PubChem CID7470935
Molecular FormulaC25H42N3O3+
Molecular Weight432.63 g/mol
Exact Mass432.32
IUPAC NameN-[(1R)-1-(1-adamantyl)-2-(2-morpholin-4-ium-4-ylethylamino)-2-oxoethyl]cyclohexanecarboxamide
SMILESO=C(N[C@@H](C(=O)NCC[NH+]1CCOCC1)C12CC3CC(CC(C3)C1)C2)C1CCCCC1
InChIInChI=1S/C25H41N3O3/c29-23(21-4-2-1-3-5-21)27-22(24(30)26-6-7-28-8-10-31-11-9-28)25-15-18-12-19(16-25)14-20(13-18)17-25/h18-22H,1-17H2,(H,26,30)(H,27,29)/p+1/t18?,19?,20?,22-,25?/m0/s1
InChIKeyDZFPLIIZILEVQH-LFCNWEHWSA-O
XLogP1.30
TPSA71.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.63
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[(1R)-1-(1-adamantyl)-2-(2-morpholin-4-ium-4-ylethylamino)-2-oxoethyl]cyclohexanecarboxamide 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

(2S)-2-[[2-(1-adamantyl)acetyl]amino]-N-(2-morpholin-4-ium-4-ylethyl)propanamide
CID 7394091
1-(1-adamantyl)-3-(2-morpholin-4-ium-4-ylethyl)thiourea
CID 8014535
N-[(1R)-1-(1-adamantyl)-2-(4-methylpiperazin-1-yl)-2-oxoethyl]cyclohexanecarboxamide
CID 7470850
N-(3-morpholin-4-ium-4-ylpropyl)adamantane-1-carboxamide
CID 7302787
N-[(1S,2S)-1-morpholin-4-ium-4-yl-1-thiophen-2-ylpropan-2-yl]cyclohexanecarboxamide
CID 7110557
1-[4-(1-adamantyl)phenyl]-3-(2-morpholin-4-ium-4-ylethyl)thiourea
CID 8659922
N-[(2R)-1-[2-(adamantane-1-carbonyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide
CID 26046629
1-[(2,3-dimethoxyphenyl)methyl]-N-(2-morpholin-4-ium-4-ylethyl)piperidin-1-ium-4-carboxamide
CID 6966263
1-[(3,4-dichlorophenyl)methyl]-N-(2-morpholin-4-ium-4-ylethyl)piperidin-1-ium-4-carboxamide
CID 7233669
N-(2-methylpropyl)cyclooctanecarboxamide
CID 65022959
N-propylcyclohexanecarboxamide;hydrochloride
CID 174790388
methyl 2-(1-adamantyl)-2-(cyclohexylcarbamoylamino)acetate
CID 4628350

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(1-adamantyl)-2-(2-morpholin-4-ium-4-ylethylamino)-2-oxoethyl]cyclohexanecarboxamide?
The IUPAC name of N-[(1R)-1-(1-adamantyl)-2-(2-morpholin-4-ium-4-ylethylamino)-2-oxoethyl]cyclohexanecarboxamide (CID 7470935) is N-[(1R)-1-(1-adamantyl)-2-(2-morpholin-4-ium-4-ylethylamino)-2-oxoethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[(1R)-1-(1-adamantyl)-2-(2-morpholin-4-ium-4-ylethylamino)-2-oxoethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[(1R)-1-(1-adamantyl)-2-(2-morpholin-4-ium-4-ylethylamino)-2-oxoethyl]cyclohexanecarboxamide is O=C(N[C@@H](C(=O)NCC[NH+]1CCOCC1)C12CC3CC(CC(C3)C1)C2)C1CCCCC1.
What is the InChIKey of N-[(1R)-1-(1-adamantyl)-2-(2-morpholin-4-ium-4-ylethylamino)-2-oxoethyl]cyclohexanecarboxamide?
The InChIKey is DZFPLIIZILEVQH-LFCNWEHWSA-O. The full InChI is InChI=1S/C25H41N3O3/c29-23(21-4-2-1-3-5-21)27-22(24(30)26-6-7-28-8-10-31-11-9-28)25-15-18-12-19(16-25)14-20(13-18)17-25/h18-22H,1-17H2,(H,26,30)(H,27,29)/p+1/t18?,19?,20?,22-,25?/m0/s1.
What are the key properties of N-[(1R)-1-(1-adamantyl)-2-(2-morpholin-4-ium-4-ylethylamino)-2-oxoethyl]cyclohexanecarboxamide?
N-[(1R)-1-(1-adamantyl)-2-(2-morpholin-4-ium-4-ylethylamino)-2-oxoethyl]cyclohexanecarboxamide has a molecular weight of 432.63 g/mol, XLogP of 1.30, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(1-adamantyl)-2-(2-morpholin-4-ium-4-ylethylamino)-2-oxoethyl]cyclohexanecarboxamide is sourced from PubChem (CID 7470935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).