[2-[3-[methoxy(phenyl)carbamoyl]-1,2,3,4-tetrahydrocarbazol-9-yl]acetyl] 2-[3-[phenyl(prop-2-enyl)carbamoyl]-1,2,3,4-tetrahydrocarbazol-9-yl]acetate

C46H44N4O6 — CID 91220675

IUPAC[2-[3-[methoxy(phenyl)carbamoyl]-1,2,3,4-tetrahydrocarbazol-9-yl]acetyl] 2-[3-[phenyl(prop-2-enyl)carbamoyl]-1,2,3,4-tetrahydrocarbazol-9-yl]acetate
SMILESC=CCN(C(=O)C1CCc2c(c3ccccc3n2CC(=O)OC(=O)Cn2c3c(c4ccccc42)CC(C(=O)N(OC)c2ccccc2)CC3)C1)c1ccccc1
InChIInChI=1S/C46H44N4O6/c1-3-26-47(33-14-6-4-7-15-33)45(53)31-22-24-41-37(27-31)35-18-10-12-20-39(35)48(41)29-43(51)56-44(52)30-49-40-21-13-11-19-36(40)38-28-32(23-25-42(38)49)46(54)50(55-2)34-16-8-5-9-17-34/h3-21,31-32H,1,22-30H2,2H3
InChIKeyXLCNLTUELNKADX-UHFFFAOYSA-N
MW748.88 g/mol
LogP7.39
Rot. Bonds11

About [2-[3-[methoxy(phenyl)carbamoyl]-1,2,3,4-tetrahydrocarbazol-9-yl]acetyl] 2-[3-[phenyl(prop-2-enyl)carbamoyl]-1,2,3,4-tetrahydrocarbazol-9-yl]acetate

[2-[3-[methoxy(phenyl)carbamoyl]-1,2,3,4-tetrahydrocarbazol-9-yl]acetyl] 2-[3-[phenyl(prop-2-enyl)carbamoyl]-1,2,3,4-tetrahydrocarbazol-9-yl]acetate (PubChem CID 91220675) has the molecular formula C46H44N4O6 and a molecular weight of 748.88 g/mol. Its IUPAC name is [2-[3-[methoxy(phenyl)carbamoyl]-1,2,3,4-tetrahydrocarbazol-9-yl]acetyl] 2-[3-[phenyl(prop-2-enyl)carbamoyl]-1,2,3,4-tetrahydrocarbazol-9-yl]acetate.

Molecular Properties

Compound Name[2-[3-[methoxy(phenyl)carbamoyl]-1,2,3,4-tetrahydrocarbazol-9-yl]acetyl] 2-[3-[phenyl(prop-2-enyl)carbamoyl]-1,2,3,4-tetrahydrocarbazol-9-yl]acetate
PubChem CID91220675
Molecular FormulaC46H44N4O6
Molecular Weight748.88 g/mol
Exact Mass748.33
IUPAC Name[2-[3-[methoxy(phenyl)carbamoyl]-1,2,3,4-tetrahydrocarbazol-9-yl]acetyl] 2-[3-[phenyl(prop-2-enyl)carbamoyl]-1,2,3,4-tetrahydrocarbazol-9-yl]acetate
SMILESC=CCN(C(=O)C1CCc2c(c3ccccc3n2CC(=O)OC(=O)Cn2c3c(c4ccccc42)CC(C(=O)N(OC)c2ccccc2)CC3)C1)c1ccccc1
InChIInChI=1S/C46H44N4O6/c1-3-26-47(33-14-6-4-7-15-33)45(53)31-22-24-41-37(27-31)35-18-10-12-20-39(35)48(41)29-43(51)56-44(52)30-49-40-21-13-11-19-36(40)38-28-32(23-25-42(38)49)46(54)50(55-2)34-16-8-5-9-17-34/h3-21,31-32H,1,22-30H2,2H3
InChIKeyXLCNLTUELNKADX-UHFFFAOYSA-N
XLogP7.39
TPSA103.08 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500748.88
LogP ≤ 57.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [2-[3-[methoxy(phenyl)carbamoyl]-1,2,3,4-tetrahydrocarbazol-9-yl]acetyl] 2-[3-[phenyl(prop-2-enyl)carbamoyl]-1,2,3,4-tetrahydrocarbazol-9-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-[3-[methoxy(phenyl)carbamoyl]-1,2,3,4-tetrahydrocarbazol-9-yl]acetyl] 2-[3-[phenyl(prop-2-enyl)carbamoyl]-1,2,3,4-tetrahydrocarbazol-9-yl]acetate?
The IUPAC name of [2-[3-[methoxy(phenyl)carbamoyl]-1,2,3,4-tetrahydrocarbazol-9-yl]acetyl] 2-[3-[phenyl(prop-2-enyl)carbamoyl]-1,2,3,4-tetrahydrocarbazol-9-yl]acetate (CID 91220675) is [2-[3-[methoxy(phenyl)carbamoyl]-1,2,3,4-tetrahydrocarbazol-9-yl]acetyl] 2-[3-[phenyl(prop-2-enyl)carbamoyl]-1,2,3,4-tetrahydrocarbazol-9-yl]acetate.
What is the SMILES notation for [2-[3-[methoxy(phenyl)carbamoyl]-1,2,3,4-tetrahydrocarbazol-9-yl]acetyl] 2-[3-[phenyl(prop-2-enyl)carbamoyl]-1,2,3,4-tetrahydrocarbazol-9-yl]acetate?
The canonical SMILES for [2-[3-[methoxy(phenyl)carbamoyl]-1,2,3,4-tetrahydrocarbazol-9-yl]acetyl] 2-[3-[phenyl(prop-2-enyl)carbamoyl]-1,2,3,4-tetrahydrocarbazol-9-yl]acetate is C=CCN(C(=O)C1CCc2c(c3ccccc3n2CC(=O)OC(=O)Cn2c3c(c4ccccc42)CC(C(=O)N(OC)c2ccccc2)CC3)C1)c1ccccc1.
What is the InChIKey of [2-[3-[methoxy(phenyl)carbamoyl]-1,2,3,4-tetrahydrocarbazol-9-yl]acetyl] 2-[3-[phenyl(prop-2-enyl)carbamoyl]-1,2,3,4-tetrahydrocarbazol-9-yl]acetate?
The InChIKey is XLCNLTUELNKADX-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H44N4O6/c1-3-26-47(33-14-6-4-7-15-33)45(53)31-22-24-41-37(27-31)35-18-10-12-20-39(35)48(41)29-43(51)56-44(52)30-49-40-21-13-11-19-36(40)38-28-32(23-25-42(38)49)46(54)50(55-2)34-16-8-5-9-17-34/h3-21,31-32H,1,22-30H2,2H3.
What are the key properties of [2-[3-[methoxy(phenyl)carbamoyl]-1,2,3,4-tetrahydrocarbazol-9-yl]acetyl] 2-[3-[phenyl(prop-2-enyl)carbamoyl]-1,2,3,4-tetrahydrocarbazol-9-yl]acetate?
[2-[3-[methoxy(phenyl)carbamoyl]-1,2,3,4-tetrahydrocarbazol-9-yl]acetyl] 2-[3-[phenyl(prop-2-enyl)carbamoyl]-1,2,3,4-tetrahydrocarbazol-9-yl]acetate has a molecular weight of 748.88 g/mol, XLogP of 7.39, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-[methoxy(phenyl)carbamoyl]-1,2,3,4-tetrahydrocarbazol-9-yl]acetyl] 2-[3-[phenyl(prop-2-enyl)carbamoyl]-1,2,3,4-tetrahydrocarbazol-9-yl]acetate is sourced from PubChem (CID 91220675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).