N-[4-[5-(dimethylamino)-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl]phenyl]benzamide

C26H27N3O2 — CID 10716675

IUPACN-[4-[5-(dimethylamino)-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl]phenyl]benzamide
SMILESCN(C)C1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3)cc2)c2ccccc21
InChIInChI=1S/C26H27N3O2/c1-28(2)23-13-8-18-29(24-12-7-6-11-22(23)24)26(31)20-14-16-21(17-15-20)27-25(30)19-9-4-3-5-10-19/h3-7,9-12,14-17,23H,8,13,18H2,1-2H3,(H,27,30)
InChIKeyWWQJVZUSVPQNDX-UHFFFAOYSA-N
MW413.52 g/mol
LogP4.98
Rot. Bonds4

About N-[4-[5-(dimethylamino)-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl]phenyl]benzamide

N-[4-[5-(dimethylamino)-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl]phenyl]benzamide (PubChem CID 10716675) has the molecular formula C26H27N3O2 and a molecular weight of 413.52 g/mol. Its IUPAC name is N-[4-[5-(dimethylamino)-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl]phenyl]benzamide.

Molecular Properties

Compound NameN-[4-[5-(dimethylamino)-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl]phenyl]benzamide
PubChem CID10716675
Molecular FormulaC26H27N3O2
Molecular Weight413.52 g/mol
Exact Mass413.21
IUPAC NameN-[4-[5-(dimethylamino)-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl]phenyl]benzamide
SMILESCN(C)C1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3)cc2)c2ccccc21
InChIInChI=1S/C26H27N3O2/c1-28(2)23-13-8-18-29(24-12-7-6-11-22(23)24)26(31)20-14-16-21(17-15-20)27-25(30)19-9-4-3-5-10-19/h3-7,9-12,14-17,23H,8,13,18H2,1-2H3,(H,27,30)
InChIKeyWWQJVZUSVPQNDX-UHFFFAOYSA-N
XLogP4.98
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[4-[5-(dimethylamino)-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl]phenyl]benzamide 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 N-[4-[5-(dimethylamino)-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl]phenyl]benzamide?
The IUPAC name of N-[4-[5-(dimethylamino)-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl]phenyl]benzamide (CID 10716675) is N-[4-[5-(dimethylamino)-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl]phenyl]benzamide.
What is the SMILES notation for N-[4-[5-(dimethylamino)-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl]phenyl]benzamide?
The canonical SMILES for N-[4-[5-(dimethylamino)-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl]phenyl]benzamide is CN(C)C1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3)cc2)c2ccccc21.
What is the InChIKey of N-[4-[5-(dimethylamino)-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl]phenyl]benzamide?
The InChIKey is WWQJVZUSVPQNDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O2/c1-28(2)23-13-8-18-29(24-12-7-6-11-22(23)24)26(31)20-14-16-21(17-15-20)27-25(30)19-9-4-3-5-10-19/h3-7,9-12,14-17,23H,8,13,18H2,1-2H3,(H,27,30).
What are the key properties of N-[4-[5-(dimethylamino)-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl]phenyl]benzamide?
N-[4-[5-(dimethylamino)-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl]phenyl]benzamide has a molecular weight of 413.52 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(dimethylamino)-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl]phenyl]benzamide is sourced from PubChem (CID 10716675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).