N-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-N-methylmorpholine-2-carboxamide

C23H29N3O2 — CID 56897548

IUPACN-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-N-methylmorpholine-2-carboxamide
SMILESCN(CCCN1c2ccccc2CCc2ccccc21)C(=O)C1CNCCO1
InChIInChI=1S/C23H29N3O2/c1-25(23(27)22-17-24-13-16-28-22)14-6-15-26-20-9-4-2-7-18(20)11-12-19-8-3-5-10-21(19)26/h2-5,7-10,22,24H,6,11-17H2,1H3
InChIKeyUVPAFBKVFKJABH-UHFFFAOYSA-N
MW379.50 g/mol
LogP2.76
Rot. Bonds5

About N-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-N-methylmorpholine-2-carboxamide

N-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-N-methylmorpholine-2-carboxamide (PubChem CID 56897548) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is N-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-N-methylmorpholine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-N-methylmorpholine-2-carboxamide
PubChem CID56897548
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC NameN-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-N-methylmorpholine-2-carboxamide
SMILESCN(CCCN1c2ccccc2CCc2ccccc21)C(=O)C1CNCCO1
InChIInChI=1S/C23H29N3O2/c1-25(23(27)22-17-24-13-16-28-22)14-6-15-26-20-9-4-2-7-18(20)11-12-19-8-3-5-10-21(19)26/h2-5,7-10,22,24H,6,11-17H2,1H3
InChIKeyUVPAFBKVFKJABH-UHFFFAOYSA-N
XLogP2.76
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-N-methylmorpholine-2-carboxamide?
The IUPAC name of N-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-N-methylmorpholine-2-carboxamide (CID 56897548) is N-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-N-methylmorpholine-2-carboxamide.
What is the SMILES notation for N-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-N-methylmorpholine-2-carboxamide?
The canonical SMILES for N-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-N-methylmorpholine-2-carboxamide is CN(CCCN1c2ccccc2CCc2ccccc21)C(=O)C1CNCCO1.
What is the InChIKey of N-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-N-methylmorpholine-2-carboxamide?
The InChIKey is UVPAFBKVFKJABH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-25(23(27)22-17-24-13-16-28-22)14-6-15-26-20-9-4-2-7-18(20)11-12-19-8-3-5-10-21(19)26/h2-5,7-10,22,24H,6,11-17H2,1H3.
What are the key properties of N-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-N-methylmorpholine-2-carboxamide?
N-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-N-methylmorpholine-2-carboxamide has a molecular weight of 379.50 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-N-methylmorpholine-2-carboxamide is sourced from PubChem (CID 56897548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).