N,N-diethyl-11H-benzo[c][1]benzazepine-10-carboxamide

C19H20N2O — CID 42635160

IUPACN,N-diethyl-11H-benzo[c][1]benzazepine-10-carboxamide
SMILESCCN(CC)C(=O)c1cccc2c1Cc1ccccc1N=C2
InChIInChI=1S/C19H20N2O/c1-3-21(4-2)19(22)16-10-7-9-15-13-20-18-11-6-5-8-14(18)12-17(15)16/h5-11,13H,3-4,12H2,1-2H3
InChIKeyHWZFHUYQKFAWSQ-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.82
Rot. Bonds3

About N,N-diethyl-11H-benzo[c][1]benzazepine-10-carboxamide

N,N-diethyl-11H-benzo[c][1]benzazepine-10-carboxamide (PubChem CID 42635160) has the molecular formula C19H20N2O and a molecular weight of 292.38 g/mol. Its IUPAC name is N,N-diethyl-11H-benzo[c][1]benzazepine-10-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-11H-benzo[c][1]benzazepine-10-carboxamide
PubChem CID42635160
Molecular FormulaC19H20N2O
Molecular Weight292.38 g/mol
Exact Mass292.16
IUPAC NameN,N-diethyl-11H-benzo[c][1]benzazepine-10-carboxamide
SMILESCCN(CC)C(=O)c1cccc2c1Cc1ccccc1N=C2
InChIInChI=1S/C19H20N2O/c1-3-21(4-2)19(22)16-10-7-9-15-13-20-18-11-6-5-8-14(18)12-17(15)16/h5-11,13H,3-4,12H2,1-2H3
InChIKeyHWZFHUYQKFAWSQ-UHFFFAOYSA-N
XLogP3.82
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-11H-benzo[c][1]benzazepine-10-carboxamide?
The IUPAC name of N,N-diethyl-11H-benzo[c][1]benzazepine-10-carboxamide (CID 42635160) is N,N-diethyl-11H-benzo[c][1]benzazepine-10-carboxamide.
What is the SMILES notation for N,N-diethyl-11H-benzo[c][1]benzazepine-10-carboxamide?
The canonical SMILES for N,N-diethyl-11H-benzo[c][1]benzazepine-10-carboxamide is CCN(CC)C(=O)c1cccc2c1Cc1ccccc1N=C2.
What is the InChIKey of N,N-diethyl-11H-benzo[c][1]benzazepine-10-carboxamide?
The InChIKey is HWZFHUYQKFAWSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O/c1-3-21(4-2)19(22)16-10-7-9-15-13-20-18-11-6-5-8-14(18)12-17(15)16/h5-11,13H,3-4,12H2,1-2H3.
What are the key properties of N,N-diethyl-11H-benzo[c][1]benzazepine-10-carboxamide?
N,N-diethyl-11H-benzo[c][1]benzazepine-10-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-11H-benzo[c][1]benzazepine-10-carboxamide is sourced from PubChem (CID 42635160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).