(1R)-N-benzyl-10-oxo-11-prop-2-enoxy-9,11-diazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene-8-carboxamide

C21H21N3O3 — CID 69346539

IUPAC(1R)-N-benzyl-10-oxo-11-prop-2-enoxy-9,11-diazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene-8-carboxamide
SMILESC=CCON1C(=O)N2C[C@H]1c1ccccc1C2C(=O)NCc1ccccc1
InChIInChI=1S/C21H21N3O3/c1-2-12-27-24-18-14-23(21(24)26)19(17-11-7-6-10-16(17)18)20(25)22-13-15-8-4-3-5-9-15/h2-11,18-19H,1,12-14H2,(H,22,25)/t18-,19?/m0/s1
InChIKeyOLVSONXBCAAXRD-OYKVQYDMSA-N
MW363.42 g/mol
LogP2.95
Rot. Bonds6

About (1R)-N-benzyl-10-oxo-11-prop-2-enoxy-9,11-diazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene-8-carboxamide

(1R)-N-benzyl-10-oxo-11-prop-2-enoxy-9,11-diazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene-8-carboxamide (PubChem CID 69346539) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is (1R)-N-benzyl-10-oxo-11-prop-2-enoxy-9,11-diazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene-8-carboxamide.

Molecular Properties

Compound Name(1R)-N-benzyl-10-oxo-11-prop-2-enoxy-9,11-diazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene-8-carboxamide
PubChem CID69346539
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Name(1R)-N-benzyl-10-oxo-11-prop-2-enoxy-9,11-diazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene-8-carboxamide
SMILESC=CCON1C(=O)N2C[C@H]1c1ccccc1C2C(=O)NCc1ccccc1
InChIInChI=1S/C21H21N3O3/c1-2-12-27-24-18-14-23(21(24)26)19(17-11-7-6-10-16(17)18)20(25)22-13-15-8-4-3-5-9-15/h2-11,18-19H,1,12-14H2,(H,22,25)/t18-,19?/m0/s1
InChIKeyOLVSONXBCAAXRD-OYKVQYDMSA-N
XLogP2.95
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R)-N-benzyl-10-oxo-11-prop-2-enoxy-9,11-diazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene-8-carboxamide?
The IUPAC name of (1R)-N-benzyl-10-oxo-11-prop-2-enoxy-9,11-diazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene-8-carboxamide (CID 69346539) is (1R)-N-benzyl-10-oxo-11-prop-2-enoxy-9,11-diazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene-8-carboxamide.
What is the SMILES notation for (1R)-N-benzyl-10-oxo-11-prop-2-enoxy-9,11-diazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene-8-carboxamide?
The canonical SMILES for (1R)-N-benzyl-10-oxo-11-prop-2-enoxy-9,11-diazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene-8-carboxamide is C=CCON1C(=O)N2C[C@H]1c1ccccc1C2C(=O)NCc1ccccc1.
What is the InChIKey of (1R)-N-benzyl-10-oxo-11-prop-2-enoxy-9,11-diazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene-8-carboxamide?
The InChIKey is OLVSONXBCAAXRD-OYKVQYDMSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-2-12-27-24-18-14-23(21(24)26)19(17-11-7-6-10-16(17)18)20(25)22-13-15-8-4-3-5-9-15/h2-11,18-19H,1,12-14H2,(H,22,25)/t18-,19?/m0/s1.
What are the key properties of (1R)-N-benzyl-10-oxo-11-prop-2-enoxy-9,11-diazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene-8-carboxamide?
(1R)-N-benzyl-10-oxo-11-prop-2-enoxy-9,11-diazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene-8-carboxamide has a molecular weight of 363.42 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-benzyl-10-oxo-11-prop-2-enoxy-9,11-diazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene-8-carboxamide is sourced from PubChem (CID 69346539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).