N,N-diethylbenzo[b][1]benzazepine-11-carboxamide

C19H20N2O — CID 766793

IUPACN,N-diethylbenzo[b][1]benzazepine-11-carboxamide
SMILESCCN(CC)C(=O)N1c2ccccc2C=Cc2ccccc21
InChIInChI=1S/C19H20N2O/c1-3-20(4-2)19(22)21-17-11-7-5-9-15(17)13-14-16-10-6-8-12-18(16)21/h5-14H,3-4H2,1-2H3
InChIKeyTXPHORZRPXNFCG-UHFFFAOYSA-N
MW292.38 g/mol
LogP4.77
Rot. Bonds2

About N,N-diethylbenzo[b][1]benzazepine-11-carboxamide

N,N-diethylbenzo[b][1]benzazepine-11-carboxamide (PubChem CID 766793) has the molecular formula C19H20N2O and a molecular weight of 292.38 g/mol. Its IUPAC name is N,N-diethylbenzo[b][1]benzazepine-11-carboxamide.

Molecular Properties

Compound NameN,N-diethylbenzo[b][1]benzazepine-11-carboxamide
PubChem CID766793
Molecular FormulaC19H20N2O
Molecular Weight292.38 g/mol
Exact Mass292.16
IUPAC NameN,N-diethylbenzo[b][1]benzazepine-11-carboxamide
SMILESCCN(CC)C(=O)N1c2ccccc2C=Cc2ccccc21
InChIInChI=1S/C19H20N2O/c1-3-20(4-2)19(22)21-17-11-7-5-9-15(17)13-14-16-10-6-8-12-18(16)21/h5-14H,3-4H2,1-2H3
InChIKeyTXPHORZRPXNFCG-UHFFFAOYSA-N
XLogP4.77
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-diethylbenzo[b][1]benzazepine-11-carboxamide?
The IUPAC name of N,N-diethylbenzo[b][1]benzazepine-11-carboxamide (CID 766793) is N,N-diethylbenzo[b][1]benzazepine-11-carboxamide.
What is the SMILES notation for N,N-diethylbenzo[b][1]benzazepine-11-carboxamide?
The canonical SMILES for N,N-diethylbenzo[b][1]benzazepine-11-carboxamide is CCN(CC)C(=O)N1c2ccccc2C=Cc2ccccc21.
What is the InChIKey of N,N-diethylbenzo[b][1]benzazepine-11-carboxamide?
The InChIKey is TXPHORZRPXNFCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O/c1-3-20(4-2)19(22)21-17-11-7-5-9-15(17)13-14-16-10-6-8-12-18(16)21/h5-14H,3-4H2,1-2H3.
What are the key properties of N,N-diethylbenzo[b][1]benzazepine-11-carboxamide?
N,N-diethylbenzo[b][1]benzazepine-11-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 4.77, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethylbenzo[b][1]benzazepine-11-carboxamide is sourced from PubChem (CID 766793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).