(3R)-2-(3,5-dimethoxyphenyl)-3-methyl-N-(3-methylbutyl)-1-oxo-4,5-dihydro-2-benzazepine-3-carboxamide

C25H32N2O4 — CID 92867333

IUPAC(3R)-2-(3,5-dimethoxyphenyl)-3-methyl-N-(3-methylbutyl)-1-oxo-4,5-dihydro-2-benzazepine-3-carboxamide
SMILESCOc1cc(OC)cc(N2C(=O)c3ccccc3CC[C@]2(C)C(=O)NCCC(C)C)c1
InChIInChI=1S/C25H32N2O4/c1-17(2)11-13-26-24(29)25(3)12-10-18-8-6-7-9-22(18)23(28)27(25)19-14-20(30-4)16-21(15-19)31-5/h6-9,14-17H,10-13H2,1-5H3,(H,26,29)/t25-/m1/s1
InChIKeyIYAWCYSFPLBIFU-RUZDIDTESA-N
MW424.54 g/mol
LogP4.22
Rot. Bonds7

About (3R)-2-(3,5-dimethoxyphenyl)-3-methyl-N-(3-methylbutyl)-1-oxo-4,5-dihydro-2-benzazepine-3-carboxamide

(3R)-2-(3,5-dimethoxyphenyl)-3-methyl-N-(3-methylbutyl)-1-oxo-4,5-dihydro-2-benzazepine-3-carboxamide (PubChem CID 92867333) has the molecular formula C25H32N2O4 and a molecular weight of 424.54 g/mol. Its IUPAC name is (3R)-2-(3,5-dimethoxyphenyl)-3-methyl-N-(3-methylbutyl)-1-oxo-4,5-dihydro-2-benzazepine-3-carboxamide.

Molecular Properties

Compound Name(3R)-2-(3,5-dimethoxyphenyl)-3-methyl-N-(3-methylbutyl)-1-oxo-4,5-dihydro-2-benzazepine-3-carboxamide
PubChem CID92867333
Molecular FormulaC25H32N2O4
Molecular Weight424.54 g/mol
Exact Mass424.24
IUPAC Name(3R)-2-(3,5-dimethoxyphenyl)-3-methyl-N-(3-methylbutyl)-1-oxo-4,5-dihydro-2-benzazepine-3-carboxamide
SMILESCOc1cc(OC)cc(N2C(=O)c3ccccc3CC[C@]2(C)C(=O)NCCC(C)C)c1
InChIInChI=1S/C25H32N2O4/c1-17(2)11-13-26-24(29)25(3)12-10-18-8-6-7-9-22(18)23(28)27(25)19-14-20(30-4)16-21(15-19)31-5/h6-9,14-17H,10-13H2,1-5H3,(H,26,29)/t25-/m1/s1
InChIKeyIYAWCYSFPLBIFU-RUZDIDTESA-N
XLogP4.22
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.54
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-2-(3,5-dimethoxyphenyl)-3-methyl-N-(3-methylbutyl)-1-oxo-4,5-dihydro-2-benzazepine-3-carboxamide 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 (3R)-2-(3,5-dimethoxyphenyl)-3-methyl-N-(3-methylbutyl)-1-oxo-4,5-dihydro-2-benzazepine-3-carboxamide?
The IUPAC name of (3R)-2-(3,5-dimethoxyphenyl)-3-methyl-N-(3-methylbutyl)-1-oxo-4,5-dihydro-2-benzazepine-3-carboxamide (CID 92867333) is (3R)-2-(3,5-dimethoxyphenyl)-3-methyl-N-(3-methylbutyl)-1-oxo-4,5-dihydro-2-benzazepine-3-carboxamide.
What is the SMILES notation for (3R)-2-(3,5-dimethoxyphenyl)-3-methyl-N-(3-methylbutyl)-1-oxo-4,5-dihydro-2-benzazepine-3-carboxamide?
The canonical SMILES for (3R)-2-(3,5-dimethoxyphenyl)-3-methyl-N-(3-methylbutyl)-1-oxo-4,5-dihydro-2-benzazepine-3-carboxamide is COc1cc(OC)cc(N2C(=O)c3ccccc3CC[C@]2(C)C(=O)NCCC(C)C)c1.
What is the InChIKey of (3R)-2-(3,5-dimethoxyphenyl)-3-methyl-N-(3-methylbutyl)-1-oxo-4,5-dihydro-2-benzazepine-3-carboxamide?
The InChIKey is IYAWCYSFPLBIFU-RUZDIDTESA-N. The full InChI is InChI=1S/C25H32N2O4/c1-17(2)11-13-26-24(29)25(3)12-10-18-8-6-7-9-22(18)23(28)27(25)19-14-20(30-4)16-21(15-19)31-5/h6-9,14-17H,10-13H2,1-5H3,(H,26,29)/t25-/m1/s1.
What are the key properties of (3R)-2-(3,5-dimethoxyphenyl)-3-methyl-N-(3-methylbutyl)-1-oxo-4,5-dihydro-2-benzazepine-3-carboxamide?
(3R)-2-(3,5-dimethoxyphenyl)-3-methyl-N-(3-methylbutyl)-1-oxo-4,5-dihydro-2-benzazepine-3-carboxamide has a molecular weight of 424.54 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2-(3,5-dimethoxyphenyl)-3-methyl-N-(3-methylbutyl)-1-oxo-4,5-dihydro-2-benzazepine-3-carboxamide is sourced from PubChem (CID 92867333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).