(1R,9R,10R)-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4-carboxamide

C18H24N2O — CID 11150306

IUPAC(1R,9R,10R)-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4-carboxamide
SMILESCN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(C(N)=O)cc13
InChIInChI=1S/C18H24N2O/c1-20-9-8-18-7-3-2-4-14(18)16(20)11-12-5-6-13(17(19)21)10-15(12)18/h5-6,10,14,16H,2-4,7-9,11H2,1H3,(H2,19,21)/t14-,16+,18+/m0/s1
InChIKeyKTMWGCFRTKWYQF-YXJHDRRASA-N
MW284.40 g/mol
LogP2.47
Rot. Bonds1

About (1R,9R,10R)-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4-carboxamide

(1R,9R,10R)-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4-carboxamide (PubChem CID 11150306) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is (1R,9R,10R)-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4-carboxamide.

Molecular Properties

Compound Name(1R,9R,10R)-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4-carboxamide
PubChem CID11150306
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name(1R,9R,10R)-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4-carboxamide
SMILESCN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(C(N)=O)cc13
InChIInChI=1S/C18H24N2O/c1-20-9-8-18-7-3-2-4-14(18)16(20)11-12-5-6-13(17(19)21)10-15(12)18/h5-6,10,14,16H,2-4,7-9,11H2,1H3,(H2,19,21)/t14-,16+,18+/m0/s1
InChIKeyKTMWGCFRTKWYQF-YXJHDRRASA-N
XLogP2.47
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 10086063
3-Carboxamido-N-cyclopropylmethylmorphinan
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(1S,9R,13R)-10-(cyclopropylmethyl)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide
CID 12994684
cis-rac-3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,4,5,6-hexahydro-2,6-methano-benzo[d]azocine-8-carboxylic acid (2-biphenyl-4-yl-ethyl)-amide
CID 16006949
(1S,13R)-10-(cyclopropylmethyl)-1,13-dimethyl-N-[2-[4-(4-methylphenyl)phenyl]ethyl]-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide
CID 16048863
(1S,13R)-10-(cyclopropylmethyl)-1,13-dimethyl-N-(2-naphthalen-2-ylethyl)-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide
CID 16048938
(1S,13R)-10-(cyclopropylmethyl)-1,13-dimethyl-N-(3-naphthalen-2-ylpropyl)-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide
CID 16048940
(1S,13R)-10-(cyclopropylmethyl)-1,13-dimethyl-N-[2-(3-phenylphenyl)ethyl]-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide
CID 16048941
(1R,9R,13R)-10-(cyclopropylmethyl)-1,13-dimethyl-N-[2-(4-phenylphenyl)ethyl]-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide
CID 16083041
(1S,13R)-3-amino-10-(cyclopropylmethyl)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide
CID 44577048
10-(Cyclopropylmethyl)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide
CID 9839245
3-Carboxamido-N-cyclobutylmethylmorphinan
CID 11279188

Frequently Asked Questions

What is the IUPAC name of (1R,9R,10R)-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4-carboxamide?
The IUPAC name of (1R,9R,10R)-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4-carboxamide (CID 11150306) is (1R,9R,10R)-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4-carboxamide.
What is the SMILES notation for (1R,9R,10R)-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4-carboxamide?
The canonical SMILES for (1R,9R,10R)-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4-carboxamide is CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(C(N)=O)cc13.
What is the InChIKey of (1R,9R,10R)-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4-carboxamide?
The InChIKey is KTMWGCFRTKWYQF-YXJHDRRASA-N. The full InChI is InChI=1S/C18H24N2O/c1-20-9-8-18-7-3-2-4-14(18)16(20)11-12-5-6-13(17(19)21)10-15(12)18/h5-6,10,14,16H,2-4,7-9,11H2,1H3,(H2,19,21)/t14-,16+,18+/m0/s1.
What are the key properties of (1R,9R,10R)-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4-carboxamide?
(1R,9R,10R)-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4-carboxamide has a molecular weight of 284.40 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,9R,10R)-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4-carboxamide is sourced from PubChem (CID 11150306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).