N-(4-aminocyclohexyl)-1-(3-methylphenyl)tricyclo[3.3.1.03,7]nonane-3-carboxamide

C23H32N2O — CID 130269796

IUPACN-(4-aminocyclohexyl)-1-(3-methylphenyl)tricyclo[3.3.1.03,7]nonane-3-carboxamide
SMILESCc1cccc(C23CC4CC(C2)C(C(=O)NC2CCC(N)CC2)(C4)C3)c1
InChIInChI=1S/C23H32N2O/c1-15-3-2-4-17(9-15)22-11-16-10-18(13-22)23(12-16,14-22)21(26)25-20-7-5-19(24)6-8-20/h2-4,9,16,18-20H,5-8,10-14,24H2,1H3,(H,25,26)
InChIKeyKQWQYMRRHUWRBN-UHFFFAOYSA-N
MW352.52 g/mol
LogP3.83
Rot. Bonds3

About N-(4-aminocyclohexyl)-1-(3-methylphenyl)tricyclo[3.3.1.03,7]nonane-3-carboxamide

N-(4-aminocyclohexyl)-1-(3-methylphenyl)tricyclo[3.3.1.03,7]nonane-3-carboxamide (PubChem CID 130269796) has the molecular formula C23H32N2O and a molecular weight of 352.52 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-1-(3-methylphenyl)tricyclo[3.3.1.03,7]nonane-3-carboxamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-1-(3-methylphenyl)tricyclo[3.3.1.03,7]nonane-3-carboxamide
PubChem CID130269796
Molecular FormulaC23H32N2O
Molecular Weight352.52 g/mol
Exact Mass352.25
IUPAC NameN-(4-aminocyclohexyl)-1-(3-methylphenyl)tricyclo[3.3.1.03,7]nonane-3-carboxamide
SMILESCc1cccc(C23CC4CC(C2)C(C(=O)NC2CCC(N)CC2)(C4)C3)c1
InChIInChI=1S/C23H32N2O/c1-15-3-2-4-17(9-15)22-11-16-10-18(13-22)23(12-16,14-22)21(26)25-20-7-5-19(24)6-8-20/h2-4,9,16,18-20H,5-8,10-14,24H2,1H3,(H,25,26)
InChIKeyKQWQYMRRHUWRBN-UHFFFAOYSA-N
XLogP3.83
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.52
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-aminocyclohexyl)-3-(3-methylphenyl)adamantane-1-carboxamide
CID 171762327
methyl 7-[(4-aminocyclohexyl)carbamoyl]-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxylate
CID 130269040
N-(6-azatricyclo[4.2.0.01,3]octan-8-yl)-1-(4-methylphenyl)tricyclo[3.3.1.03,7]nonane-3-carboxamide
CID 130269827
N-(4-aminocyclohexyl)-3-methyl-5-phenyladamantane-1-carboxamide
CID 152871733
N-(4-aminocyclohexyl)-2-(3-methylphenyl)acetamide
CID 62387693
N-(4-methylcyclohexyl)-1-(3-methylphenyl)cyclobutane-1-carboxamide
CID 32668077
(3S,5R)-N-(4-aminocyclohexyl)-3-(2-fluoroethyl)-5-phenyladamantane-1-carboxamide
CID 137436155
(7R)-N-(4-aminocyclohexyl)-6-ethyl-3-phenyladamantane-1-carboxamide
CID 162754679
N-(4-aminocyclohexyl)-1-(3-chlorophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119474559
N-(4-aminocyclohexyl)-1-(3-bromophenyl)cyclopentane-1-carboxamide
CID 119475744
N-[4-(aminomethyl)cyclohexyl]-3,7,7-trimethyl-1-phenylbicyclo[3.3.1]nonane-3-carboxamide
CID 142519882
N-(4-aminocyclohexyl)-3-phenyl-1'-phenylmethoxyspiro[adamantane-6,2'-aziridine]-1-carboxamide
CID 175626949

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-1-(3-methylphenyl)tricyclo[3.3.1.03,7]nonane-3-carboxamide?
The IUPAC name of N-(4-aminocyclohexyl)-1-(3-methylphenyl)tricyclo[3.3.1.03,7]nonane-3-carboxamide (CID 130269796) is N-(4-aminocyclohexyl)-1-(3-methylphenyl)tricyclo[3.3.1.03,7]nonane-3-carboxamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-1-(3-methylphenyl)tricyclo[3.3.1.03,7]nonane-3-carboxamide?
The canonical SMILES for N-(4-aminocyclohexyl)-1-(3-methylphenyl)tricyclo[3.3.1.03,7]nonane-3-carboxamide is Cc1cccc(C23CC4CC(C2)C(C(=O)NC2CCC(N)CC2)(C4)C3)c1.
What is the InChIKey of N-(4-aminocyclohexyl)-1-(3-methylphenyl)tricyclo[3.3.1.03,7]nonane-3-carboxamide?
The InChIKey is KQWQYMRRHUWRBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O/c1-15-3-2-4-17(9-15)22-11-16-10-18(13-22)23(12-16,14-22)21(26)25-20-7-5-19(24)6-8-20/h2-4,9,16,18-20H,5-8,10-14,24H2,1H3,(H,25,26).
What are the key properties of N-(4-aminocyclohexyl)-1-(3-methylphenyl)tricyclo[3.3.1.03,7]nonane-3-carboxamide?
N-(4-aminocyclohexyl)-1-(3-methylphenyl)tricyclo[3.3.1.03,7]nonane-3-carboxamide has a molecular weight of 352.52 g/mol, XLogP of 3.83, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-1-(3-methylphenyl)tricyclo[3.3.1.03,7]nonane-3-carboxamide is sourced from PubChem (CID 130269796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).