N,N-dimethyl-4-[(1S,9R)-1,13,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene-10-carbonyl]cyclohexane-1-carboxamide

C25H36N2O2 — CID 70666321

IUPACN,N-dimethyl-4-[(1S,9R)-1,13,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene-10-carbonyl]cyclohexane-1-carboxamide
SMILESCN(C)C(=O)C1CCC(C(=O)N2CC[C@@]3(C)c4ccccc4C[C@@H]2C3(C)C)CC1
InChIInChI=1S/C25H36N2O2/c1-24(2)21-16-19-8-6-7-9-20(19)25(24,3)14-15-27(21)23(29)18-12-10-17(11-13-18)22(28)26(4)5/h6-9,17-18,21H,10-16H2,1-5H3/t17?,18?,21-,25+/m1/s1
InChIKeyFMDLOMGRPSJQTO-YMFITPKDSA-N
MW396.58 g/mol
LogP4.02
Rot. Bonds2

About N,N-dimethyl-4-[(1S,9R)-1,13,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene-10-carbonyl]cyclohexane-1-carboxamide

N,N-dimethyl-4-[(1S,9R)-1,13,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene-10-carbonyl]cyclohexane-1-carboxamide (PubChem CID 70666321) has the molecular formula C25H36N2O2 and a molecular weight of 396.58 g/mol. Its IUPAC name is N,N-dimethyl-4-[(1S,9R)-1,13,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene-10-carbonyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[(1S,9R)-1,13,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene-10-carbonyl]cyclohexane-1-carboxamide
PubChem CID70666321
Molecular FormulaC25H36N2O2
Molecular Weight396.58 g/mol
Exact Mass396.28
IUPAC NameN,N-dimethyl-4-[(1S,9R)-1,13,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene-10-carbonyl]cyclohexane-1-carboxamide
SMILESCN(C)C(=O)C1CCC(C(=O)N2CC[C@@]3(C)c4ccccc4C[C@@H]2C3(C)C)CC1
InChIInChI=1S/C25H36N2O2/c1-24(2)21-16-19-8-6-7-9-20(19)25(24,3)14-15-27(21)23(29)18-12-10-17(11-13-18)22(28)26(4)5/h6-9,17-18,21H,10-16H2,1-5H3/t17?,18?,21-,25+/m1/s1
InChIKeyFMDLOMGRPSJQTO-YMFITPKDSA-N
XLogP4.02
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.58
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N,N-dimethyl-4-[(1S,9R)-1,13,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene-10-carbonyl]cyclohexane-1-carboxamide 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

3-Carboxamido-N-methylmorphinan
CID 11150306
8-{4-[((R)-5-Fluoro-1,2,3,4-tetrahydro-naphthalen-2-yl)-propyl-amino]-butyl}-8-aza-spiro[4.5]decane-7,9-dione
CID 10502670
1,13-Dimethyl-10-(2-phenylethyl)-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide
CID 25181466
(4aR,10bR)-4,10b-Dimethyl-8-((E)-styryl)-1,4,4a,5,6,10b-hexahydro-2H-benzo[f]quinolin-3-one
CID 44299652
(4S,9aR,11aR)-6,9a,11a-trimethyl-1-(6-methylheptan-2-yl)-4-phenyl-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-7-one
CID 44350227
(4aR)-(10bR)-4,10b-dimethyl-8-(2-phenylethynyl)-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]quinolin-3-one
CID 44351848
N-methyl-N-(1-methylpiperidin-4-yl)-3-phenyladamantane-1-carboxamide
CID 130269278
4-Methyl-1,4,4a,5,6,10b-hexahydro-2H-benzo[f]quinolin-3-one
CID 10082004
4,8-Dimethyl-1,4,4a,5,6,10b-hexahydro-2H-benzo[f]quinolin-3-one
CID 10105225
(1R,4S,9aR,11aR)-6,9a,11a-trimethyl-1-(6-methylheptan-2-yl)-4-phenyl-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-7-one
CID 44275322
(4aR,10bR)-4,10b-Dimethyl-8-((Z)-styryl)-1,4,4a,5,6,10b-hexahydro-2H-benzo[f]quinolin-3-one
CID 44351707
((1S,4aS,10aR)-1,4a-Dimethyl-1,2,3,4,4a,9,10,10a-octahydro-phenanthren-1-yl)-(4-phenyl-piperidin-1-yl)-methanone
CID 44403558

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[(1S,9R)-1,13,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene-10-carbonyl]cyclohexane-1-carboxamide?
The IUPAC name of N,N-dimethyl-4-[(1S,9R)-1,13,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene-10-carbonyl]cyclohexane-1-carboxamide (CID 70666321) is N,N-dimethyl-4-[(1S,9R)-1,13,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene-10-carbonyl]cyclohexane-1-carboxamide.
What is the SMILES notation for N,N-dimethyl-4-[(1S,9R)-1,13,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene-10-carbonyl]cyclohexane-1-carboxamide?
The canonical SMILES for N,N-dimethyl-4-[(1S,9R)-1,13,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene-10-carbonyl]cyclohexane-1-carboxamide is CN(C)C(=O)C1CCC(C(=O)N2CC[C@@]3(C)c4ccccc4C[C@@H]2C3(C)C)CC1.
What is the InChIKey of N,N-dimethyl-4-[(1S,9R)-1,13,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene-10-carbonyl]cyclohexane-1-carboxamide?
The InChIKey is FMDLOMGRPSJQTO-YMFITPKDSA-N. The full InChI is InChI=1S/C25H36N2O2/c1-24(2)21-16-19-8-6-7-9-20(19)25(24,3)14-15-27(21)23(29)18-12-10-17(11-13-18)22(28)26(4)5/h6-9,17-18,21H,10-16H2,1-5H3/t17?,18?,21-,25+/m1/s1.
What are the key properties of N,N-dimethyl-4-[(1S,9R)-1,13,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene-10-carbonyl]cyclohexane-1-carboxamide?
N,N-dimethyl-4-[(1S,9R)-1,13,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene-10-carbonyl]cyclohexane-1-carboxamide has a molecular weight of 396.58 g/mol, XLogP of 4.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[(1S,9R)-1,13,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene-10-carbonyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 70666321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).