N-[(2R)-1-[2-(adamantane-1-carbonyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide

C23H37N3O3 — CID 26046629

IUPACN-[(2R)-1-[2-(adamantane-1-carbonyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide
SMILESCC(C)[C@@H](NC(=O)C1CCCCC1)C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C23H37N3O3/c1-14(2)19(24-20(27)18-6-4-3-5-7-18)21(28)25-26-22(29)23-11-15-8-16(12-23)10-17(9-15)13-23/h14-19H,3-13H2,1-2H3,(H,24,27)(H,25,28)(H,26,29)/t15?,16?,17?,19-,23?/m1/s1
InChIKeyBYKGKJHALMCWIX-YLSHDAJPSA-N
MW403.57 g/mol
LogP3.07
Rot. Bonds5

About N-[(2R)-1-[2-(adamantane-1-carbonyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide

N-[(2R)-1-[2-(adamantane-1-carbonyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide (PubChem CID 26046629) has the molecular formula C23H37N3O3 and a molecular weight of 403.57 g/mol. Its IUPAC name is N-[(2R)-1-[2-(adamantane-1-carbonyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(2R)-1-[2-(adamantane-1-carbonyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide
PubChem CID26046629
Molecular FormulaC23H37N3O3
Molecular Weight403.57 g/mol
Exact Mass403.28
IUPAC NameN-[(2R)-1-[2-(adamantane-1-carbonyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide
SMILESCC(C)[C@@H](NC(=O)C1CCCCC1)C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C23H37N3O3/c1-14(2)19(24-20(27)18-6-4-3-5-7-18)21(28)25-26-22(29)23-11-15-8-16(12-23)10-17(9-15)13-23/h14-19H,3-13H2,1-2H3,(H,24,27)(H,25,28)(H,26,29)/t15?,16?,17?,19-,23?/m1/s1
InChIKeyBYKGKJHALMCWIX-YLSHDAJPSA-N
XLogP3.07
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.57
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(2R)-1-[2-(adamantane-1-carbonyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]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

N-(2-hydrazinyl-2-oxoethyl)tricyclo[3.3.1.1~3,7~]decane-1-carboxamide (non-preferred name)
CID 1538491
N-{1-(1-adamantyl)-2-[(2-methoxyethyl)amino]-2-oxoethyl}cyclohexanecarboxamide
CID 2960871
2-[2-(1-adamantylcarbonyl)hydrazino]-N-(tert-butyl)-2-oxoacetamide
CID 7758754
2-[2-(1-adamantylcarbonyl)hydrazino]-N-isopropyl-2-oxoacetamide
CID 2869210
N-[1-[2-(dimethylamino)ethylamino]-1-oxopropan-2-yl]adamantane-1-carboxamide;hydrochloride
CID 6603536
(S)-2-(2-Adamantan-1-yl-acetylamino)-N-{3-[4-(3-amino-propylamino)-butylamino]-propyl}-3-cyclohexyl-propionamide
CID 49788806
2-(1-adamantyl)-N-[(2S)-1-[(6S)-6-methyl-2,3-dioxopiperazin-1-yl]propan-2-yl]acetamide
CID 24856211
(3r,5r,7r)-N-(1-((2-(dimethylamino)ethyl)amino)-1-oxopropan-2-yl)adamantane-1-carboxamide
CID 3236105
N-[2-(adamantane-1-carbonylamino)ethyl]adamantane-1-carboxamide
CID 335731
N-[2-(adamantane-1-carbonylamino)propyl]adamantane-1-carboxamide
CID 335733
N-[1-(Adamantane-1-carbonylamino)-2-methyl-propan-2-YL]adamantane-1-carboxamide
CID 335736
Cambridge id 5219424
CID 2834604

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[2-(adamantane-1-carbonyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide?
The IUPAC name of N-[(2R)-1-[2-(adamantane-1-carbonyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide (CID 26046629) is N-[(2R)-1-[2-(adamantane-1-carbonyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[(2R)-1-[2-(adamantane-1-carbonyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[(2R)-1-[2-(adamantane-1-carbonyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide is CC(C)[C@@H](NC(=O)C1CCCCC1)C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[(2R)-1-[2-(adamantane-1-carbonyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide?
The InChIKey is BYKGKJHALMCWIX-YLSHDAJPSA-N. The full InChI is InChI=1S/C23H37N3O3/c1-14(2)19(24-20(27)18-6-4-3-5-7-18)21(28)25-26-22(29)23-11-15-8-16(12-23)10-17(9-15)13-23/h14-19H,3-13H2,1-2H3,(H,24,27)(H,25,28)(H,26,29)/t15?,16?,17?,19-,23?/m1/s1.
What are the key properties of N-[(2R)-1-[2-(adamantane-1-carbonyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide?
N-[(2R)-1-[2-(adamantane-1-carbonyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide has a molecular weight of 403.57 g/mol, XLogP of 3.07, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-[2-(adamantane-1-carbonyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide is sourced from PubChem (CID 26046629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).