(1R,8R,9R,13R)-N-methoxy-11-[2-(2-methoxyphenyl)acetyl]-1-phenyl-11-azatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6-triene-9-carboxamide

C31H32N2O4 — CID 10505435

IUPAC(1R,8R,9R,13R)-N-methoxy-11-[2-(2-methoxyphenyl)acetyl]-1-phenyl-11-azatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6-triene-9-carboxamide
SMILESCONC(=O)[C@@]12CN(C(=O)Cc3ccccc3OC)C[C@@H]1[C@@]1(c3ccccc3)CC[C@@H]2c2ccccc21
InChIInChI=1S/C31H32N2O4/c1-36-26-15-9-6-10-21(26)18-28(34)33-19-27-30(22-11-4-3-5-12-22)17-16-25(23-13-7-8-14-24(23)30)31(27,20-33)29(35)32-37-2/h3-15,25,27H,16-20H2,1-2H3,(H,32,35)/t25-,27-,30-,31-/m1/s1
InChIKeyJPYDRCUDZCZXCQ-RSQMPJMXSA-N
MW496.61 g/mol
LogP4.24
Rot. Bonds6

About (1R,8R,9R,13R)-N-methoxy-11-[2-(2-methoxyphenyl)acetyl]-1-phenyl-11-azatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6-triene-9-carboxamide

(1R,8R,9R,13R)-N-methoxy-11-[2-(2-methoxyphenyl)acetyl]-1-phenyl-11-azatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6-triene-9-carboxamide (PubChem CID 10505435) has the molecular formula C31H32N2O4 and a molecular weight of 496.61 g/mol. Its IUPAC name is (1R,8R,9R,13R)-N-methoxy-11-[2-(2-methoxyphenyl)acetyl]-1-phenyl-11-azatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6-triene-9-carboxamide.

Molecular Properties

Compound Name(1R,8R,9R,13R)-N-methoxy-11-[2-(2-methoxyphenyl)acetyl]-1-phenyl-11-azatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6-triene-9-carboxamide
PubChem CID10505435
Molecular FormulaC31H32N2O4
Molecular Weight496.61 g/mol
Exact Mass496.24
IUPAC Name(1R,8R,9R,13R)-N-methoxy-11-[2-(2-methoxyphenyl)acetyl]-1-phenyl-11-azatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6-triene-9-carboxamide
SMILESCONC(=O)[C@@]12CN(C(=O)Cc3ccccc3OC)C[C@@H]1[C@@]1(c3ccccc3)CC[C@@H]2c2ccccc21
InChIInChI=1S/C31H32N2O4/c1-36-26-15-9-6-10-21(26)18-28(34)33-19-27-30(22-11-4-3-5-12-22)17-16-25(23-13-7-8-14-24(23)30)31(27,20-33)29(35)32-37-2/h3-15,25,27H,16-20H2,1-2H3,(H,32,35)/t25-,27-,30-,31-/m1/s1
InChIKeyJPYDRCUDZCZXCQ-RSQMPJMXSA-N
XLogP4.24
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.61
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (1R,8R,9R,13R)-N-methoxy-11-[2-(2-methoxyphenyl)acetyl]-1-phenyl-11-azatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6-triene-9-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

(1S,8S,9R,13R)-11-[2-(2-methoxyphenyl)acetyl]-1-phenyl-11-azatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6-triene-9-carboxylic acid
CID 101050175
methyl (1R,8R,9R,13R)-11-[2-(2-methoxyphenyl)prop-2-enoyl]-1-phenyl-11-azatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6-triene-9-carboxylate
CID 10529197
(1R,8R,9R,13R)-11-[2-(2-methoxyphenyl)prop-2-enoyl]-1-phenyl-11-azatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6-triene-9-carboxylic acid
CID 10600744
10-[2-(2-methoxyphenyl)acetyl]-N-[2-(methylamino)ethyl]-1-phenyl-11-azatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6-triene-9-carboxamide
CID 139811262
methyl 11-benzyl-1-(4-chlorophenyl)-11-azatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6-triene-9-carboxylate
CID 139890037
2-[2-(2-methoxyphenyl)acetyl]-7-oxo-4-phenyl-1,3,4,5,6,7a-hexahydroisoindole-3a-carboxylic acid
CID 57239017
methyl 11-benzyl-1-(3-chlorophenyl)-11-azatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6-triene-9-carboxylate
CID 139890055
methyl 1-(2,4-dichlorophenyl)-11-[2-(2-methoxyphenyl)prop-2-enoyl]-11-azatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6-triene-9-carboxylate
CID 139941647
2-[[10-[2-(2-methoxyphenyl)acetyl]-1-phenyl-11-azatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6-triene-9-yl]methyl]propanedioic acid
CID 139811237
1-[(3R)-3-aminopyrrolidin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 81469940
1-[4,7-dihydroxy-4-(2-methoxyphenyl)-7-methyl-1,3,3a,5,6,7a-hexahydroisoindol-2-yl]-2-(2-methoxyphenyl)ethanone
CID 67714344
1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-(2-methoxyphenyl)ethanone
CID 114778686

Frequently Asked Questions

What is the IUPAC name of (1R,8R,9R,13R)-N-methoxy-11-[2-(2-methoxyphenyl)acetyl]-1-phenyl-11-azatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6-triene-9-carboxamide?
The IUPAC name of (1R,8R,9R,13R)-N-methoxy-11-[2-(2-methoxyphenyl)acetyl]-1-phenyl-11-azatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6-triene-9-carboxamide (CID 10505435) is (1R,8R,9R,13R)-N-methoxy-11-[2-(2-methoxyphenyl)acetyl]-1-phenyl-11-azatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6-triene-9-carboxamide.
What is the SMILES notation for (1R,8R,9R,13R)-N-methoxy-11-[2-(2-methoxyphenyl)acetyl]-1-phenyl-11-azatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6-triene-9-carboxamide?
The canonical SMILES for (1R,8R,9R,13R)-N-methoxy-11-[2-(2-methoxyphenyl)acetyl]-1-phenyl-11-azatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6-triene-9-carboxamide is CONC(=O)[C@@]12CN(C(=O)Cc3ccccc3OC)C[C@@H]1[C@@]1(c3ccccc3)CC[C@@H]2c2ccccc21.
What is the InChIKey of (1R,8R,9R,13R)-N-methoxy-11-[2-(2-methoxyphenyl)acetyl]-1-phenyl-11-azatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6-triene-9-carboxamide?
The InChIKey is JPYDRCUDZCZXCQ-RSQMPJMXSA-N. The full InChI is InChI=1S/C31H32N2O4/c1-36-26-15-9-6-10-21(26)18-28(34)33-19-27-30(22-11-4-3-5-12-22)17-16-25(23-13-7-8-14-24(23)30)31(27,20-33)29(35)32-37-2/h3-15,25,27H,16-20H2,1-2H3,(H,32,35)/t25-,27-,30-,31-/m1/s1.
What are the key properties of (1R,8R,9R,13R)-N-methoxy-11-[2-(2-methoxyphenyl)acetyl]-1-phenyl-11-azatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6-triene-9-carboxamide?
(1R,8R,9R,13R)-N-methoxy-11-[2-(2-methoxyphenyl)acetyl]-1-phenyl-11-azatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6-triene-9-carboxamide has a molecular weight of 496.61 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,8R,9R,13R)-N-methoxy-11-[2-(2-methoxyphenyl)acetyl]-1-phenyl-11-azatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6-triene-9-carboxamide is sourced from PubChem (CID 10505435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).