N-(4-methoxyphenyl)-9,11-dioxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-triene-10-carboxamide

C19H16N2O4 — CID 71558698

IUPACN-(4-methoxyphenyl)-9,11-dioxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-triene-10-carboxamide
SMILESCOc1ccc(NC(=O)C2C(=O)c3cccc4c3N(CC4)C2=O)cc1
InChIInChI=1S/C19H16N2O4/c1-25-13-7-5-12(6-8-13)20-18(23)15-17(22)14-4-2-3-11-9-10-21(16(11)14)19(15)24/h2-8,15H,9-10H2,1H3,(H,20,23)
InChIKeyYQISDPZRXHJHKH-UHFFFAOYSA-N
MW336.35 g/mol
LogP2.04
Rot. Bonds3

About N-(4-methoxyphenyl)-9,11-dioxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-triene-10-carboxamide

N-(4-methoxyphenyl)-9,11-dioxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-triene-10-carboxamide (PubChem CID 71558698) has the molecular formula C19H16N2O4 and a molecular weight of 336.35 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-9,11-dioxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-triene-10-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-9,11-dioxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-triene-10-carboxamide
PubChem CID71558698
Molecular FormulaC19H16N2O4
Molecular Weight336.35 g/mol
Exact Mass336.11
IUPAC NameN-(4-methoxyphenyl)-9,11-dioxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-triene-10-carboxamide
SMILESCOc1ccc(NC(=O)C2C(=O)c3cccc4c3N(CC4)C2=O)cc1
InChIInChI=1S/C19H16N2O4/c1-25-13-7-5-12(6-8-13)20-18(23)15-17(22)14-4-2-3-11-9-10-21(16(11)14)19(15)24/h2-8,15H,9-10H2,1H3,(H,20,23)
InChIKeyYQISDPZRXHJHKH-UHFFFAOYSA-N
XLogP2.04
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-(4-methoxyphenyl)-1,3-dimethyl-2,4,6-trioxo-1,3-diazinane-5-carboxamide
CID 134138570
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CID 54676962
(3R)-N,1-bis(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 704239
4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(4-methoxyphenyl)cyclohexane-1-carboxamide
CID 109150620
(3R)-1-(3-fluoro-2-methylphenyl)-N-(4-methoxyphenyl)-2-oxopyrrolidine-3-carboxamide
CID 93331069
2-(2,3-dihydroindol-1-yl)-N-(4-methoxyphenyl)-2-oxoacetamide
CID 108502677
(3R)-1-(3-acetamidophenyl)-N-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 92726984
(3S)-1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-N-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 95098694
1-(4-methoxyphenyl)-5-oxo-N-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 113188168
N-(4-methoxyphenyl)-5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 108791034
N-(4-methoxyphenyl)-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide
CID 42651543
(2S,3R)-N-(4-methoxyphenyl)-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide
CID 29132160

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-9,11-dioxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-triene-10-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-9,11-dioxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-triene-10-carboxamide (CID 71558698) is N-(4-methoxyphenyl)-9,11-dioxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-triene-10-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-9,11-dioxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-triene-10-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-9,11-dioxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-triene-10-carboxamide is COc1ccc(NC(=O)C2C(=O)c3cccc4c3N(CC4)C2=O)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-9,11-dioxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-triene-10-carboxamide?
The InChIKey is YQISDPZRXHJHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O4/c1-25-13-7-5-12(6-8-13)20-18(23)15-17(22)14-4-2-3-11-9-10-21(16(11)14)19(15)24/h2-8,15H,9-10H2,1H3,(H,20,23).
What are the key properties of N-(4-methoxyphenyl)-9,11-dioxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-triene-10-carboxamide?
N-(4-methoxyphenyl)-9,11-dioxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-triene-10-carboxamide has a molecular weight of 336.35 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-9,11-dioxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-triene-10-carboxamide is sourced from PubChem (CID 71558698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).