N-(4-aminocyclohexyl)-3-(3-methylphenyl)adamantane-1-carboxamide

C24H34N2O — CID 171762327

IUPACN-(4-aminocyclohexyl)-3-(3-methylphenyl)adamantane-1-carboxamide
SMILESCc1cccc(C23CC4CC(CC(C(=O)NC5CCC(N)CC5)(C4)C2)C3)c1
InChIInChI=1S/C24H34N2O/c1-16-3-2-4-19(9-16)23-11-17-10-18(12-23)14-24(13-17,15-23)22(27)26-21-7-5-20(25)6-8-21/h2-4,9,17-18,20-21H,5-8,10-15,25H2,1H3,(H,26,27)
InChIKeyDDMIUBCEDYGJAB-UHFFFAOYSA-N
MW366.55 g/mol
LogP4.22
Rot. Bonds3

About N-(4-aminocyclohexyl)-3-(3-methylphenyl)adamantane-1-carboxamide

N-(4-aminocyclohexyl)-3-(3-methylphenyl)adamantane-1-carboxamide (PubChem CID 171762327) has the molecular formula C24H34N2O and a molecular weight of 366.55 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-3-(3-methylphenyl)adamantane-1-carboxamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-3-(3-methylphenyl)adamantane-1-carboxamide
PubChem CID171762327
Molecular FormulaC24H34N2O
Molecular Weight366.55 g/mol
Exact Mass366.27
IUPAC NameN-(4-aminocyclohexyl)-3-(3-methylphenyl)adamantane-1-carboxamide
SMILESCc1cccc(C23CC4CC(CC(C(=O)NC5CCC(N)CC5)(C4)C2)C3)c1
InChIInChI=1S/C24H34N2O/c1-16-3-2-4-19(9-16)23-11-17-10-18(12-23)14-24(13-17,15-23)22(27)26-21-7-5-20(25)6-8-21/h2-4,9,17-18,20-21H,5-8,10-15,25H2,1H3,(H,26,27)
InChIKeyDDMIUBCEDYGJAB-UHFFFAOYSA-N
XLogP4.22
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 ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-3-(3-methylphenyl)adamantane-1-carboxamide?
The IUPAC name of N-(4-aminocyclohexyl)-3-(3-methylphenyl)adamantane-1-carboxamide (CID 171762327) is N-(4-aminocyclohexyl)-3-(3-methylphenyl)adamantane-1-carboxamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-3-(3-methylphenyl)adamantane-1-carboxamide?
The canonical SMILES for N-(4-aminocyclohexyl)-3-(3-methylphenyl)adamantane-1-carboxamide is Cc1cccc(C23CC4CC(CC(C(=O)NC5CCC(N)CC5)(C4)C2)C3)c1.
What is the InChIKey of N-(4-aminocyclohexyl)-3-(3-methylphenyl)adamantane-1-carboxamide?
The InChIKey is DDMIUBCEDYGJAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O/c1-16-3-2-4-19(9-16)23-11-17-10-18(12-23)14-24(13-17,15-23)22(27)26-21-7-5-20(25)6-8-21/h2-4,9,17-18,20-21H,5-8,10-15,25H2,1H3,(H,26,27).
What are the key properties of N-(4-aminocyclohexyl)-3-(3-methylphenyl)adamantane-1-carboxamide?
N-(4-aminocyclohexyl)-3-(3-methylphenyl)adamantane-1-carboxamide has a molecular weight of 366.55 g/mol, XLogP of 4.22, 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-(3-methylphenyl)adamantane-1-carboxamide is sourced from PubChem (CID 171762327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).