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

C26H27N3O2 — CID 10716676

IUPAC2-methyl-N-[4-[5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl]phenyl]benzamide
SMILESCNC1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c2ccccc21
InChIInChI=1S/C26H27N3O2/c1-18-8-3-4-9-21(18)25(30)28-20-15-13-19(14-16-20)26(31)29-17-7-11-23(27-2)22-10-5-6-12-24(22)29/h3-6,8-10,12-16,23,27H,7,11,17H2,1-2H3,(H,28,30)
InChIKeyHYDGBLVZCVRPNL-UHFFFAOYSA-N
MW413.52 g/mol
LogP4.95
Rot. Bonds4

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

2-methyl-N-[4-[5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl]phenyl]benzamide (PubChem CID 10716676) has the molecular formula C26H27N3O2 and a molecular weight of 413.52 g/mol. Its IUPAC name is 2-methyl-N-[4-[5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl]phenyl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[4-[5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl]phenyl]benzamide
PubChem CID10716676
Molecular FormulaC26H27N3O2
Molecular Weight413.52 g/mol
Exact Mass413.21
IUPAC Name2-methyl-N-[4-[5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl]phenyl]benzamide
SMILESCNC1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c2ccccc21
InChIInChI=1S/C26H27N3O2/c1-18-8-3-4-9-21(18)25(30)28-20-15-13-19(14-16-20)26(31)29-17-7-11-23(27-2)22-10-5-6-12-24(22)29/h3-6,8-10,12-16,23,27H,7,11,17H2,1-2H3,(H,28,30)
InChIKeyHYDGBLVZCVRPNL-UHFFFAOYSA-N
XLogP4.95
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-[5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl]phenyl]benzamide?
The IUPAC name of 2-methyl-N-[4-[5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl]phenyl]benzamide (CID 10716676) is 2-methyl-N-[4-[5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl]phenyl]benzamide.
What is the SMILES notation for 2-methyl-N-[4-[5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl]phenyl]benzamide?
The canonical SMILES for 2-methyl-N-[4-[5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl]phenyl]benzamide is CNC1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c2ccccc21.
What is the InChIKey of 2-methyl-N-[4-[5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl]phenyl]benzamide?
The InChIKey is HYDGBLVZCVRPNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O2/c1-18-8-3-4-9-21(18)25(30)28-20-15-13-19(14-16-20)26(31)29-17-7-11-23(27-2)22-10-5-6-12-24(22)29/h3-6,8-10,12-16,23,27H,7,11,17H2,1-2H3,(H,28,30).
What are the key properties of 2-methyl-N-[4-[5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl]phenyl]benzamide?
2-methyl-N-[4-[5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl]phenyl]benzamide has a molecular weight of 413.52 g/mol, XLogP of 4.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-[5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl]phenyl]benzamide is sourced from PubChem (CID 10716676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).