N-(6,7-dihydro-5H-benzo[d][1]benzazepin-6-ylmethyl)-2-(hydroxymethyl)benzamide

C23H22N2O2 — CID 10193717

IUPACN-(6,7-dihydro-5H-benzo[d][1]benzazepin-6-ylmethyl)-2-(hydroxymethyl)benzamide
SMILESO=C(NCC1Cc2ccccc2-c2ccccc2N1)c1ccccc1CO
InChIInChI=1S/C23H22N2O2/c26-15-17-8-2-4-10-20(17)23(27)24-14-18-13-16-7-1-3-9-19(16)21-11-5-6-12-22(21)25-18/h1-12,18,25-26H,13-15H2,(H,24,27)
InChIKeyKORSQEZHCAZQNG-UHFFFAOYSA-N
MW358.44 g/mol
LogP3.61
Rot. Bonds4

About N-(6,7-dihydro-5H-benzo[d][1]benzazepin-6-ylmethyl)-2-(hydroxymethyl)benzamide

N-(6,7-dihydro-5H-benzo[d][1]benzazepin-6-ylmethyl)-2-(hydroxymethyl)benzamide (PubChem CID 10193717) has the molecular formula C23H22N2O2 and a molecular weight of 358.44 g/mol. Its IUPAC name is N-(6,7-dihydro-5H-benzo[d][1]benzazepin-6-ylmethyl)-2-(hydroxymethyl)benzamide.

Molecular Properties

Compound NameN-(6,7-dihydro-5H-benzo[d][1]benzazepin-6-ylmethyl)-2-(hydroxymethyl)benzamide
PubChem CID10193717
Molecular FormulaC23H22N2O2
Molecular Weight358.44 g/mol
Exact Mass358.17
IUPAC NameN-(6,7-dihydro-5H-benzo[d][1]benzazepin-6-ylmethyl)-2-(hydroxymethyl)benzamide
SMILESO=C(NCC1Cc2ccccc2-c2ccccc2N1)c1ccccc1CO
InChIInChI=1S/C23H22N2O2/c26-15-17-8-2-4-10-20(17)23(27)24-14-18-13-16-7-1-3-9-19(16)21-11-5-6-12-22(21)25-18/h1-12,18,25-26H,13-15H2,(H,24,27)
InChIKeyKORSQEZHCAZQNG-UHFFFAOYSA-N
XLogP3.61
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(6,7-dihydro-5H-benzo[d][1]benzazepin-6-ylmethyl)-2-(hydroxymethyl)benzamide?
The IUPAC name of N-(6,7-dihydro-5H-benzo[d][1]benzazepin-6-ylmethyl)-2-(hydroxymethyl)benzamide (CID 10193717) is N-(6,7-dihydro-5H-benzo[d][1]benzazepin-6-ylmethyl)-2-(hydroxymethyl)benzamide.
What is the SMILES notation for N-(6,7-dihydro-5H-benzo[d][1]benzazepin-6-ylmethyl)-2-(hydroxymethyl)benzamide?
The canonical SMILES for N-(6,7-dihydro-5H-benzo[d][1]benzazepin-6-ylmethyl)-2-(hydroxymethyl)benzamide is O=C(NCC1Cc2ccccc2-c2ccccc2N1)c1ccccc1CO.
What is the InChIKey of N-(6,7-dihydro-5H-benzo[d][1]benzazepin-6-ylmethyl)-2-(hydroxymethyl)benzamide?
The InChIKey is KORSQEZHCAZQNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O2/c26-15-17-8-2-4-10-20(17)23(27)24-14-18-13-16-7-1-3-9-19(16)21-11-5-6-12-22(21)25-18/h1-12,18,25-26H,13-15H2,(H,24,27).
What are the key properties of N-(6,7-dihydro-5H-benzo[d][1]benzazepin-6-ylmethyl)-2-(hydroxymethyl)benzamide?
N-(6,7-dihydro-5H-benzo[d][1]benzazepin-6-ylmethyl)-2-(hydroxymethyl)benzamide has a molecular weight of 358.44 g/mol, XLogP of 3.61, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,7-dihydro-5H-benzo[d][1]benzazepin-6-ylmethyl)-2-(hydroxymethyl)benzamide is sourced from PubChem (CID 10193717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).