N-(4-ethoxyphenyl)-6-oxo-5,11-dihydrobenzo[b][1,4]benzodiazepine-3-carboxamide

C22H19N3O3 — CID 91813173

IUPACN-(4-ethoxyphenyl)-6-oxo-5,11-dihydrobenzo[b][1,4]benzodiazepine-3-carboxamide
SMILESCCOc1ccc(NC(=O)c2ccc3c(c2)NC(=O)c2ccccc2N3)cc1
InChIInChI=1S/C22H19N3O3/c1-2-28-16-10-8-15(9-11-16)23-21(26)14-7-12-19-20(13-14)25-22(27)17-5-3-4-6-18(17)24-19/h3-13,24H,2H2,1H3,(H,23,26)(H,25,27)
InChIKeyUVBZSAQBSFTTCT-UHFFFAOYSA-N
MW373.41 g/mol
LogP4.65
Rot. Bonds4

About N-(4-ethoxyphenyl)-6-oxo-5,11-dihydrobenzo[b][1,4]benzodiazepine-3-carboxamide

N-(4-ethoxyphenyl)-6-oxo-5,11-dihydrobenzo[b][1,4]benzodiazepine-3-carboxamide (PubChem CID 91813173) has the molecular formula C22H19N3O3 and a molecular weight of 373.41 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-6-oxo-5,11-dihydrobenzo[b][1,4]benzodiazepine-3-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-6-oxo-5,11-dihydrobenzo[b][1,4]benzodiazepine-3-carboxamide
PubChem CID91813173
Molecular FormulaC22H19N3O3
Molecular Weight373.41 g/mol
Exact Mass373.14
IUPAC NameN-(4-ethoxyphenyl)-6-oxo-5,11-dihydrobenzo[b][1,4]benzodiazepine-3-carboxamide
SMILESCCOc1ccc(NC(=O)c2ccc3c(c2)NC(=O)c2ccccc2N3)cc1
InChIInChI=1S/C22H19N3O3/c1-2-28-16-10-8-15(9-11-16)23-21(26)14-7-12-19-20(13-14)25-22(27)17-5-3-4-6-18(17)24-19/h3-13,24H,2H2,1H3,(H,23,26)(H,25,27)
InChIKeyUVBZSAQBSFTTCT-UHFFFAOYSA-N
XLogP4.65
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 54.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-6-oxo-5,11-dihydrobenzo[b][1,4]benzodiazepine-3-carboxamide?
The IUPAC name of N-(4-ethoxyphenyl)-6-oxo-5,11-dihydrobenzo[b][1,4]benzodiazepine-3-carboxamide (CID 91813173) is N-(4-ethoxyphenyl)-6-oxo-5,11-dihydrobenzo[b][1,4]benzodiazepine-3-carboxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-6-oxo-5,11-dihydrobenzo[b][1,4]benzodiazepine-3-carboxamide?
The canonical SMILES for N-(4-ethoxyphenyl)-6-oxo-5,11-dihydrobenzo[b][1,4]benzodiazepine-3-carboxamide is CCOc1ccc(NC(=O)c2ccc3c(c2)NC(=O)c2ccccc2N3)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-6-oxo-5,11-dihydrobenzo[b][1,4]benzodiazepine-3-carboxamide?
The InChIKey is UVBZSAQBSFTTCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3/c1-2-28-16-10-8-15(9-11-16)23-21(26)14-7-12-19-20(13-14)25-22(27)17-5-3-4-6-18(17)24-19/h3-13,24H,2H2,1H3,(H,23,26)(H,25,27).
What are the key properties of N-(4-ethoxyphenyl)-6-oxo-5,11-dihydrobenzo[b][1,4]benzodiazepine-3-carboxamide?
N-(4-ethoxyphenyl)-6-oxo-5,11-dihydrobenzo[b][1,4]benzodiazepine-3-carboxamide has a molecular weight of 373.41 g/mol, XLogP of 4.65, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-6-oxo-5,11-dihydrobenzo[b][1,4]benzodiazepine-3-carboxamide is sourced from PubChem (CID 91813173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).