N-(4-aminocyclohexyl)-3-methyl-5-phenyladamantane-1-carboxamide

C24H34N2O — CID 152871733

IUPACN-(4-aminocyclohexyl)-3-methyl-5-phenyladamantane-1-carboxamide
SMILESCC12CC3CC(C(=O)NC4CCC(N)CC4)(C1)CC(c1ccccc1)(C3)C2
InChIInChI=1S/C24H34N2O/c1-22-11-17-12-23(14-22,18-5-3-2-4-6-18)16-24(13-17,15-22)21(27)26-20-9-7-19(25)8-10-20/h2-6,17,19-20H,7-16,25H2,1H3,(H,26,27)
InChIKeyTZNRCHUCVIMHIH-UHFFFAOYSA-N
MW366.55 g/mol
LogP4.30
Rot. Bonds3

About N-(4-aminocyclohexyl)-3-methyl-5-phenyladamantane-1-carboxamide

N-(4-aminocyclohexyl)-3-methyl-5-phenyladamantane-1-carboxamide (PubChem CID 152871733) has the molecular formula C24H34N2O and a molecular weight of 366.55 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-3-methyl-5-phenyladamantane-1-carboxamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-3-methyl-5-phenyladamantane-1-carboxamide
PubChem CID152871733
Molecular FormulaC24H34N2O
Molecular Weight366.55 g/mol
Exact Mass366.27
IUPAC NameN-(4-aminocyclohexyl)-3-methyl-5-phenyladamantane-1-carboxamide
SMILESCC12CC3CC(C(=O)NC4CCC(N)CC4)(C1)CC(c1ccccc1)(C3)C2
InChIInChI=1S/C24H34N2O/c1-22-11-17-12-23(14-22,18-5-3-2-4-6-18)16-24(13-17,15-22)21(27)26-20-9-7-19(25)8-10-20/h2-6,17,19-20H,7-16,25H2,1H3,(H,26,27)
InChIKeyTZNRCHUCVIMHIH-UHFFFAOYSA-N
XLogP4.30
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.55
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S,5R)-N-(4-aminocyclohexyl)-3-(2-fluoroethyl)-5-phenyladamantane-1-carboxamide
CID 137436155
(3R,5R)-N-(3,3-dimethylpiperidin-4-yl)-3-methyl-5-phenyladamantane-1-carboxamide
CID 137436163
(3R,5R)-3-methyl-5-phenyladamantane-1-carboxamide
CID 137435862
(3R,5R)-3-methyl-5-phenyladamantane-1-carboxylic acid
CID 137435972
(3S,5S)-N-(2-azabicyclo[2.2.1]heptan-6-yl)-3-methyl-5-phenyladamantane-1-carboxamide
CID 142520085
methyl 7-[(4-aminocyclohexyl)carbamoyl]-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxylate
CID 130269040
(4-aminoazepan-1-yl)-(3-methyl-5-phenyl-1-adamantyl)methanone
CID 142519878
(3S,5S)-3-(fluoromethyl)-5-phenyl-N-piperidin-4-yladamantane-1-carboxamide
CID 137435864
N-(4-aminocyclohexyl)-3-(3-methylphenyl)adamantane-1-carboxamide
CID 171762327
2-cyclohexyl-1-[(3R,5R)-3-methyl-5-phenyl-1-adamantyl]ethanone
CID 158432369
N-[(3-hydroxyazetidin-3-yl)methyl]-3-methyl-5-phenyladamantane-1-carboxamide
CID 130269312
(7R)-N-(4-aminocyclohexyl)-6-ethyl-3-phenyladamantane-1-carboxamide
CID 162754679

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-3-methyl-5-phenyladamantane-1-carboxamide?
The IUPAC name of N-(4-aminocyclohexyl)-3-methyl-5-phenyladamantane-1-carboxamide (CID 152871733) is N-(4-aminocyclohexyl)-3-methyl-5-phenyladamantane-1-carboxamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-3-methyl-5-phenyladamantane-1-carboxamide?
The canonical SMILES for N-(4-aminocyclohexyl)-3-methyl-5-phenyladamantane-1-carboxamide is CC12CC3CC(C(=O)NC4CCC(N)CC4)(C1)CC(c1ccccc1)(C3)C2.
What is the InChIKey of N-(4-aminocyclohexyl)-3-methyl-5-phenyladamantane-1-carboxamide?
The InChIKey is TZNRCHUCVIMHIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O/c1-22-11-17-12-23(14-22,18-5-3-2-4-6-18)16-24(13-17,15-22)21(27)26-20-9-7-19(25)8-10-20/h2-6,17,19-20H,7-16,25H2,1H3,(H,26,27).
What are the key properties of N-(4-aminocyclohexyl)-3-methyl-5-phenyladamantane-1-carboxamide?
N-(4-aminocyclohexyl)-3-methyl-5-phenyladamantane-1-carboxamide has a molecular weight of 366.55 g/mol, XLogP of 4.30, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-3-methyl-5-phenyladamantane-1-carboxamide is sourced from PubChem (CID 152871733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).