(2R,6S)-4-benzyl-4-azatricyclo[5.4.0.02,6]undeca-1(11),7,9-triene-2-carboxamide

C18H18N2O — CID 86756068

IUPAC(2R,6S)-4-benzyl-4-azatricyclo[5.4.0.02,6]undeca-1(11),7,9-triene-2-carboxamide
SMILESNC(=O)[C@]12CN(Cc3ccccc3)C[C@H]1c1ccccc12
InChIInChI=1S/C18H18N2O/c19-17(21)18-12-20(10-13-6-2-1-3-7-13)11-16(18)14-8-4-5-9-15(14)18/h1-9,16H,10-12H2,(H2,19,21)/t16-,18-/m0/s1
InChIKeyWNFWSEZOFZNAEI-WMZOPIPTSA-N
MW278.36 g/mol
LogP2.02
Rot. Bonds3

About (2R,6S)-4-benzyl-4-azatricyclo[5.4.0.02,6]undeca-1(11),7,9-triene-2-carboxamide

(2R,6S)-4-benzyl-4-azatricyclo[5.4.0.02,6]undeca-1(11),7,9-triene-2-carboxamide (PubChem CID 86756068) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is (2R,6S)-4-benzyl-4-azatricyclo[5.4.0.02,6]undeca-1(11),7,9-triene-2-carboxamide.

Molecular Properties

Compound Name(2R,6S)-4-benzyl-4-azatricyclo[5.4.0.02,6]undeca-1(11),7,9-triene-2-carboxamide
PubChem CID86756068
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name(2R,6S)-4-benzyl-4-azatricyclo[5.4.0.02,6]undeca-1(11),7,9-triene-2-carboxamide
SMILESNC(=O)[C@]12CN(Cc3ccccc3)C[C@H]1c1ccccc12
InChIInChI=1S/C18H18N2O/c19-17(21)18-12-20(10-13-6-2-1-3-7-13)11-16(18)14-8-4-5-9-15(14)18/h1-9,16H,10-12H2,(H2,19,21)/t16-,18-/m0/s1
InChIKeyWNFWSEZOFZNAEI-WMZOPIPTSA-N
XLogP2.02
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2R,6S)-4-benzyl-4-azatricyclo[5.4.0.02,6]undeca-1(11),7,9-triene-2-carboxamide with MolForge

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Related Compounds

methyl (2S,6R)-4-benzyl-4-azatricyclo[5.4.0.02,6]undeca-1(11),7,9-triene-2-carboxylate
CID 57227424
(3aS,9bR)-2-benzyl-3,4,5,9b-tetrahydro-1H-benzo[g]isoindol-3a-amine
CID 125489448
2-(1-benzylazetidin-3-yl)acetamide
CID 67172961
1-benzyl-4,4-dimethylpyrrolidine-3-carboxylic acid
CID 5081554
(1R,5R)-3-benzyl-3-azabicyclo[3.1.0]hexane-1-carboxylic acid;hydrochloride
CID 155822282
(3aS,9bS)-2-benzyl-3a-nitro-3,4,5,9b-tetrahydro-1H-benzo[e]isoindole
CID 125480900
3-benzoyl-1-benzylazetidine-3-carboxylic acid
CID 150018898
5-benzyl-5-azaspiro[2.4]heptan-7-ol
CID 58452923
(1-benzyl-4-cyclopropylpiperidin-4-yl)methyl carbamate
CID 175201473
3-amino-1-benzylpiperidine-3-carboxamide
CID 60795458
(3aS,6aS)-5-benzyl-3a-methyl-6,6a-dihydro-4H-furo[3,4-c]pyrrole-1,3-dione
CID 129374464
tert-butyl 2,5-dibenzyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxylate
CID 11200194

Frequently Asked Questions

What is the IUPAC name of (2R,6S)-4-benzyl-4-azatricyclo[5.4.0.02,6]undeca-1(11),7,9-triene-2-carboxamide?
The IUPAC name of (2R,6S)-4-benzyl-4-azatricyclo[5.4.0.02,6]undeca-1(11),7,9-triene-2-carboxamide (CID 86756068) is (2R,6S)-4-benzyl-4-azatricyclo[5.4.0.02,6]undeca-1(11),7,9-triene-2-carboxamide.
What is the SMILES notation for (2R,6S)-4-benzyl-4-azatricyclo[5.4.0.02,6]undeca-1(11),7,9-triene-2-carboxamide?
The canonical SMILES for (2R,6S)-4-benzyl-4-azatricyclo[5.4.0.02,6]undeca-1(11),7,9-triene-2-carboxamide is NC(=O)[C@]12CN(Cc3ccccc3)C[C@H]1c1ccccc12.
What is the InChIKey of (2R,6S)-4-benzyl-4-azatricyclo[5.4.0.02,6]undeca-1(11),7,9-triene-2-carboxamide?
The InChIKey is WNFWSEZOFZNAEI-WMZOPIPTSA-N. The full InChI is InChI=1S/C18H18N2O/c19-17(21)18-12-20(10-13-6-2-1-3-7-13)11-16(18)14-8-4-5-9-15(14)18/h1-9,16H,10-12H2,(H2,19,21)/t16-,18-/m0/s1.
What are the key properties of (2R,6S)-4-benzyl-4-azatricyclo[5.4.0.02,6]undeca-1(11),7,9-triene-2-carboxamide?
(2R,6S)-4-benzyl-4-azatricyclo[5.4.0.02,6]undeca-1(11),7,9-triene-2-carboxamide has a molecular weight of 278.36 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-4-benzyl-4-azatricyclo[5.4.0.02,6]undeca-1(11),7,9-triene-2-carboxamide is sourced from PubChem (CID 86756068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).