5-methoxy-5,6-dihydrobenzo[b][1]benzazepine-11-carboxamide

C16H16N2O2 — CID 2847198

IUPAC5-methoxy-5,6-dihydrobenzo[b][1]benzazepine-11-carboxamide
SMILESCOC1Cc2ccccc2N(C(N)=O)c2ccccc21
InChIInChI=1S/C16H16N2O2/c1-20-15-10-11-6-2-4-8-13(11)18(16(17)19)14-9-5-3-7-12(14)15/h2-9,15H,10H2,1H3,(H2,17,19)
InChIKeyHQUUYZZHMQPBPR-UHFFFAOYSA-N
MW268.32 g/mol
LogP3.15
Rot. Bonds1

About 5-methoxy-5,6-dihydrobenzo[b][1]benzazepine-11-carboxamide

5-methoxy-5,6-dihydrobenzo[b][1]benzazepine-11-carboxamide (PubChem CID 2847198) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 5-methoxy-5,6-dihydrobenzo[b][1]benzazepine-11-carboxamide.

Molecular Properties

Compound Name5-methoxy-5,6-dihydrobenzo[b][1]benzazepine-11-carboxamide
PubChem CID2847198
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name5-methoxy-5,6-dihydrobenzo[b][1]benzazepine-11-carboxamide
SMILESCOC1Cc2ccccc2N(C(N)=O)c2ccccc21
InChIInChI=1S/C16H16N2O2/c1-20-15-10-11-6-2-4-8-13(11)18(16(17)19)14-9-5-3-7-12(14)15/h2-9,15H,10H2,1H3,(H2,17,19)
InChIKeyHQUUYZZHMQPBPR-UHFFFAOYSA-N
XLogP3.15
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-5,6-dihydrobenzo[b][1]benzazepine-11-carboxamide?
The IUPAC name of 5-methoxy-5,6-dihydrobenzo[b][1]benzazepine-11-carboxamide (CID 2847198) is 5-methoxy-5,6-dihydrobenzo[b][1]benzazepine-11-carboxamide.
What is the SMILES notation for 5-methoxy-5,6-dihydrobenzo[b][1]benzazepine-11-carboxamide?
The canonical SMILES for 5-methoxy-5,6-dihydrobenzo[b][1]benzazepine-11-carboxamide is COC1Cc2ccccc2N(C(N)=O)c2ccccc21.
What is the InChIKey of 5-methoxy-5,6-dihydrobenzo[b][1]benzazepine-11-carboxamide?
The InChIKey is HQUUYZZHMQPBPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-20-15-10-11-6-2-4-8-13(11)18(16(17)19)14-9-5-3-7-12(14)15/h2-9,15H,10H2,1H3,(H2,17,19).
What are the key properties of 5-methoxy-5,6-dihydrobenzo[b][1]benzazepine-11-carboxamide?
5-methoxy-5,6-dihydrobenzo[b][1]benzazepine-11-carboxamide has a molecular weight of 268.32 g/mol, XLogP of 3.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-5,6-dihydrobenzo[b][1]benzazepine-11-carboxamide is sourced from PubChem (CID 2847198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).