ethane;5-oxo-6H-benzo[b][1]benzazepine-11-carboxamide

C19H24N2O2 — CID 143893495

IUPACethane;5-oxo-6H-benzo[b][1]benzazepine-11-carboxamide
SMILESCC.CC.NC(=O)N1c2ccccc2CC(=O)c2ccccc21
InChIInChI=1S/C15H12N2O2.2C2H6/c16-15(19)17-12-7-3-1-5-10(12)9-14(18)11-6-2-4-8-13(11)17;2*1-2/h1-8H,9H2,(H2,16,19);2*1-2H3
InChIKeyDTXASJDKZUETBM-UHFFFAOYSA-N
MW312.41 g/mol
LogP4.69
Rot. Bonds

About ethane;5-oxo-6H-benzo[b][1]benzazepine-11-carboxamide

ethane;5-oxo-6H-benzo[b][1]benzazepine-11-carboxamide (PubChem CID 143893495) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is ethane;5-oxo-6H-benzo[b][1]benzazepine-11-carboxamide.

Molecular Properties

Compound Nameethane;5-oxo-6H-benzo[b][1]benzazepine-11-carboxamide
PubChem CID143893495
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Nameethane;5-oxo-6H-benzo[b][1]benzazepine-11-carboxamide
SMILESCC.CC.NC(=O)N1c2ccccc2CC(=O)c2ccccc21
InChIInChI=1S/C15H12N2O2.2C2H6/c16-15(19)17-12-7-3-1-5-10(12)9-14(18)11-6-2-4-8-13(11)17;2*1-2/h1-8H,9H2,(H2,16,19);2*1-2H3
InChIKeyDTXASJDKZUETBM-UHFFFAOYSA-N
XLogP4.69
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1H-azepine-4-carboxamide;5-oxo-6H-benzo[b][1]benzazepine-11-carboxamide
CID 158215150
[(11-carbamoyl-6H-benzo[b][1]benzazepin-5-ylidene)amino] benzoate
CID 57037687
2-[(Z)-(11-carbamoyl-6H-benzo[b][1]benzazepin-5-ylidene)amino]oxyacetic acid
CID 89300256
11-[amino(hydroxy)methyl]-6H-benzo[b][1]benzazepin-5-one
CID 129202957
ethane;tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-9-one
CID 91187219
tricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaene-2,11-dione
CID 163817575
5-methyl-6,11-dihydrobenzo[c][1]benzazocin-12-one
CID 56958885
N-carbamoyl-1,2,3,4-tetradeuterio-6-oxo-5H-benzo[b][1]benzazepine-11-carboxamide
CID 162641100
(6R)-6-bromo-5-oxo-6H-benzo[b][1]benzazepine-11-carboxamide
CID 95162157
9H-acridine-10-carbonyl chloride
CID 165358723
10-(2-chloroacetyl)-1-methyl-5H-thieno[3,4-b][1]benzazepin-4-one
CID 151180271
tert-butyl 9H-acridine-10-carboxylate
CID 102499784

Frequently Asked Questions

What is the IUPAC name of ethane;5-oxo-6H-benzo[b][1]benzazepine-11-carboxamide?
The IUPAC name of ethane;5-oxo-6H-benzo[b][1]benzazepine-11-carboxamide (CID 143893495) is ethane;5-oxo-6H-benzo[b][1]benzazepine-11-carboxamide.
What is the SMILES notation for ethane;5-oxo-6H-benzo[b][1]benzazepine-11-carboxamide?
The canonical SMILES for ethane;5-oxo-6H-benzo[b][1]benzazepine-11-carboxamide is CC.CC.NC(=O)N1c2ccccc2CC(=O)c2ccccc21.
What is the InChIKey of ethane;5-oxo-6H-benzo[b][1]benzazepine-11-carboxamide?
The InChIKey is DTXASJDKZUETBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2.2C2H6/c16-15(19)17-12-7-3-1-5-10(12)9-14(18)11-6-2-4-8-13(11)17;2*1-2/h1-8H,9H2,(H2,16,19);2*1-2H3.
What are the key properties of ethane;5-oxo-6H-benzo[b][1]benzazepine-11-carboxamide?
ethane;5-oxo-6H-benzo[b][1]benzazepine-11-carboxamide has a molecular weight of 312.41 g/mol, XLogP of 4.69, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-oxo-6H-benzo[b][1]benzazepine-11-carboxamide is sourced from PubChem (CID 143893495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).