(11-carbamoyl-5,6-dihydrobenzo[b][1]benzazepin-5-yl) 2-(4-methoxyphenyl)acetate

C24H22N2O4 — CID 10111715

IUPAC(11-carbamoyl-5,6-dihydrobenzo[b][1]benzazepin-5-yl) 2-(4-methoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)OC2Cc3ccccc3N(C(N)=O)c3ccccc32)cc1
InChIInChI=1S/C24H22N2O4/c1-29-18-12-10-16(11-13-18)14-23(27)30-22-15-17-6-2-4-8-20(17)26(24(25)28)21-9-5-3-7-19(21)22/h2-13,22H,14-15H2,1H3,(H2,25,28)
InChIKeyYTYAAOXHRDHJRT-UHFFFAOYSA-N
MW402.45 g/mol
LogP4.30
Rot. Bonds4

About (11-carbamoyl-5,6-dihydrobenzo[b][1]benzazepin-5-yl) 2-(4-methoxyphenyl)acetate

(11-carbamoyl-5,6-dihydrobenzo[b][1]benzazepin-5-yl) 2-(4-methoxyphenyl)acetate (PubChem CID 10111715) has the molecular formula C24H22N2O4 and a molecular weight of 402.45 g/mol. Its IUPAC name is (11-carbamoyl-5,6-dihydrobenzo[b][1]benzazepin-5-yl) 2-(4-methoxyphenyl)acetate.

Molecular Properties

Compound Name(11-carbamoyl-5,6-dihydrobenzo[b][1]benzazepin-5-yl) 2-(4-methoxyphenyl)acetate
PubChem CID10111715
Molecular FormulaC24H22N2O4
Molecular Weight402.45 g/mol
Exact Mass402.16
IUPAC Name(11-carbamoyl-5,6-dihydrobenzo[b][1]benzazepin-5-yl) 2-(4-methoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)OC2Cc3ccccc3N(C(N)=O)c3ccccc32)cc1
InChIInChI=1S/C24H22N2O4/c1-29-18-12-10-16(11-13-18)14-23(27)30-22-15-17-6-2-4-8-20(17)26(24(25)28)21-9-5-3-7-19(21)22/h2-13,22H,14-15H2,1H3,(H2,25,28)
InChIKeyYTYAAOXHRDHJRT-UHFFFAOYSA-N
XLogP4.30
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (11-carbamoyl-5,6-dihydrobenzo[b][1]benzazepin-5-yl) 2-(4-methoxyphenyl)acetate?
The IUPAC name of (11-carbamoyl-5,6-dihydrobenzo[b][1]benzazepin-5-yl) 2-(4-methoxyphenyl)acetate (CID 10111715) is (11-carbamoyl-5,6-dihydrobenzo[b][1]benzazepin-5-yl) 2-(4-methoxyphenyl)acetate.
What is the SMILES notation for (11-carbamoyl-5,6-dihydrobenzo[b][1]benzazepin-5-yl) 2-(4-methoxyphenyl)acetate?
The canonical SMILES for (11-carbamoyl-5,6-dihydrobenzo[b][1]benzazepin-5-yl) 2-(4-methoxyphenyl)acetate is COc1ccc(CC(=O)OC2Cc3ccccc3N(C(N)=O)c3ccccc32)cc1.
What is the InChIKey of (11-carbamoyl-5,6-dihydrobenzo[b][1]benzazepin-5-yl) 2-(4-methoxyphenyl)acetate?
The InChIKey is YTYAAOXHRDHJRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O4/c1-29-18-12-10-16(11-13-18)14-23(27)30-22-15-17-6-2-4-8-20(17)26(24(25)28)21-9-5-3-7-19(21)22/h2-13,22H,14-15H2,1H3,(H2,25,28).
What are the key properties of (11-carbamoyl-5,6-dihydrobenzo[b][1]benzazepin-5-yl) 2-(4-methoxyphenyl)acetate?
(11-carbamoyl-5,6-dihydrobenzo[b][1]benzazepin-5-yl) 2-(4-methoxyphenyl)acetate has a molecular weight of 402.45 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (11-carbamoyl-5,6-dihydrobenzo[b][1]benzazepin-5-yl) 2-(4-methoxyphenyl)acetate is sourced from PubChem (CID 10111715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).