9H-fluoren-9-ylmethyl N-[(3Z)-1-benzyl-2-butan-2-yl-8-oxo-2,5,6,7-tetrahydroazocin-6-yl]carbamate

C33H36N2O3 — CID 56642822

IUPAC9H-fluoren-9-ylmethyl N-[(3Z)-1-benzyl-2-butan-2-yl-8-oxo-2,5,6,7-tetrahydroazocin-6-yl]carbamate
SMILESCCC(C)C1/C=C\CC(NC(=O)OCC2c3ccccc3-c3ccccc32)CC(=O)N1Cc1ccccc1
InChIInChI=1S/C33H36N2O3/c1-3-23(2)31-19-11-14-25(20-32(36)35(31)21-24-12-5-4-6-13-24)34-33(37)38-22-30-28-17-9-7-15-26(28)27-16-8-10-18-29(27)30/h4-13,15-19,23,25,30-31H,3,14,20-22H2,1-2H3,(H,34,37)/b19-11-
InChIKeyFQZVKFHKMSDDDM-ODLFYWEKSA-N
MW508.66 g/mol
LogP6.69
Rot. Bonds7

About 9H-fluoren-9-ylmethyl N-[(3Z)-1-benzyl-2-butan-2-yl-8-oxo-2,5,6,7-tetrahydroazocin-6-yl]carbamate

9H-fluoren-9-ylmethyl N-[(3Z)-1-benzyl-2-butan-2-yl-8-oxo-2,5,6,7-tetrahydroazocin-6-yl]carbamate (PubChem CID 56642822) has the molecular formula C33H36N2O3 and a molecular weight of 508.66 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[(3Z)-1-benzyl-2-butan-2-yl-8-oxo-2,5,6,7-tetrahydroazocin-6-yl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[(3Z)-1-benzyl-2-butan-2-yl-8-oxo-2,5,6,7-tetrahydroazocin-6-yl]carbamate
PubChem CID56642822
Molecular FormulaC33H36N2O3
Molecular Weight508.66 g/mol
Exact Mass508.27
IUPAC Name9H-fluoren-9-ylmethyl N-[(3Z)-1-benzyl-2-butan-2-yl-8-oxo-2,5,6,7-tetrahydroazocin-6-yl]carbamate
SMILESCCC(C)C1/C=C\CC(NC(=O)OCC2c3ccccc3-c3ccccc32)CC(=O)N1Cc1ccccc1
InChIInChI=1S/C33H36N2O3/c1-3-23(2)31-19-11-14-25(20-32(36)35(31)21-24-12-5-4-6-13-24)34-33(37)38-22-30-28-17-9-7-15-26(28)27-16-8-10-18-29(27)30/h4-13,15-19,23,25,30-31H,3,14,20-22H2,1-2H3,(H,34,37)/b19-11-
InChIKeyFQZVKFHKMSDDDM-ODLFYWEKSA-N
XLogP6.69
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.66
LogP ≤ 56.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 9H-fluoren-9-ylmethyl N-[(3Z)-1-benzyl-2-butan-2-yl-8-oxo-2,5,6,7-tetrahydroazocin-6-yl]carbamate 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 9H-fluoren-9-ylmethyl N-[(3Z)-1-benzyl-2-butan-2-yl-8-oxo-2,5,6,7-tetrahydroazocin-6-yl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[(3Z)-1-benzyl-2-butan-2-yl-8-oxo-2,5,6,7-tetrahydroazocin-6-yl]carbamate (CID 56642822) is 9H-fluoren-9-ylmethyl N-[(3Z)-1-benzyl-2-butan-2-yl-8-oxo-2,5,6,7-tetrahydroazocin-6-yl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[(3Z)-1-benzyl-2-butan-2-yl-8-oxo-2,5,6,7-tetrahydroazocin-6-yl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[(3Z)-1-benzyl-2-butan-2-yl-8-oxo-2,5,6,7-tetrahydroazocin-6-yl]carbamate is CCC(C)C1/C=C\CC(NC(=O)OCC2c3ccccc3-c3ccccc32)CC(=O)N1Cc1ccccc1.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[(3Z)-1-benzyl-2-butan-2-yl-8-oxo-2,5,6,7-tetrahydroazocin-6-yl]carbamate?
The InChIKey is FQZVKFHKMSDDDM-ODLFYWEKSA-N. The full InChI is InChI=1S/C33H36N2O3/c1-3-23(2)31-19-11-14-25(20-32(36)35(31)21-24-12-5-4-6-13-24)34-33(37)38-22-30-28-17-9-7-15-26(28)27-16-8-10-18-29(27)30/h4-13,15-19,23,25,30-31H,3,14,20-22H2,1-2H3,(H,34,37)/b19-11-.
What are the key properties of 9H-fluoren-9-ylmethyl N-[(3Z)-1-benzyl-2-butan-2-yl-8-oxo-2,5,6,7-tetrahydroazocin-6-yl]carbamate?
9H-fluoren-9-ylmethyl N-[(3Z)-1-benzyl-2-butan-2-yl-8-oxo-2,5,6,7-tetrahydroazocin-6-yl]carbamate has a molecular weight of 508.66 g/mol, XLogP of 6.69, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[(3Z)-1-benzyl-2-butan-2-yl-8-oxo-2,5,6,7-tetrahydroazocin-6-yl]carbamate is sourced from PubChem (CID 56642822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).