N',N'-dibenzyl-2-oxochromene-3-carbohydrazide

C24H20N2O3 — CID 9293863

IUPACN',N'-dibenzyl-2-oxochromene-3-carbohydrazide
SMILESO=C(NN(Cc1ccccc1)Cc1ccccc1)c1cc2ccccc2oc1=O
InChIInChI=1S/C24H20N2O3/c27-23(21-15-20-13-7-8-14-22(20)29-24(21)28)25-26(16-18-9-3-1-4-10-18)17-19-11-5-2-6-12-19/h1-15H,16-17H2,(H,25,27)
InChIKeyIXXMNSZTCIVYSX-UHFFFAOYSA-N
MW384.44 g/mol
LogP4.14
Rot. Bonds6

About N',N'-dibenzyl-2-oxochromene-3-carbohydrazide

N',N'-dibenzyl-2-oxochromene-3-carbohydrazide (PubChem CID 9293863) has the molecular formula C24H20N2O3 and a molecular weight of 384.44 g/mol. Its IUPAC name is N',N'-dibenzyl-2-oxochromene-3-carbohydrazide.

Molecular Properties

Compound NameN',N'-dibenzyl-2-oxochromene-3-carbohydrazide
PubChem CID9293863
Molecular FormulaC24H20N2O3
Molecular Weight384.44 g/mol
Exact Mass384.15
IUPAC NameN',N'-dibenzyl-2-oxochromene-3-carbohydrazide
SMILESO=C(NN(Cc1ccccc1)Cc1ccccc1)c1cc2ccccc2oc1=O
InChIInChI=1S/C24H20N2O3/c27-23(21-15-20-13-7-8-14-22(20)29-24(21)28)25-26(16-18-9-3-1-4-10-18)17-19-11-5-2-6-12-19/h1-15H,16-17H2,(H,25,27)
InChIKeyIXXMNSZTCIVYSX-UHFFFAOYSA-N
XLogP4.14
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N',N'-dibenzyl-2-oxochromene-3-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N',N'-dibenzyl-1-benzofuran-2-carbohydrazide
CID 9293807
N-benzyl-2-oxo-N-(2-phenylethyl)chromene-3-carboxamide
CID 1432995
2-oxochromene-3-carboxylic acid
CID 161011590
N-carbamoyl-2-oxochromene-3-carboxamide
CID 849924
N-[4-(hydroxymethyl)phenyl]-2-oxochromene-3-carboxamide
CID 23661443
(2R)-2-[[(2S)-2-[(2-oxochromene-3-carbonyl)amino]propanoyl]amino]-3-phenylpropanoic acid
CID 26794618
[2-[benzyl(methyl)amino]-2-oxoethyl] 2-oxochromene-3-carboxylate
CID 2356268
N-[4-(benzylcarbamoyl)phenyl]-2-oxochromene-3-carboxamide
CID 1253528
N-tert-butyl-2-oxochromene-3-carboxamide
CID 2798381
methyl N-(2-oxochromene-3-carbonyl)carbamate
CID 901757
N-(2,2-dimethylpropyl)-2-oxochromene-3-carboxamide
CID 110473782
2-[(2-oxochromene-3-carbonyl)amino]butanoic acid
CID 43469616

Frequently Asked Questions

What is the IUPAC name of N',N'-dibenzyl-2-oxochromene-3-carbohydrazide?
The IUPAC name of N',N'-dibenzyl-2-oxochromene-3-carbohydrazide (CID 9293863) is N',N'-dibenzyl-2-oxochromene-3-carbohydrazide.
What is the SMILES notation for N',N'-dibenzyl-2-oxochromene-3-carbohydrazide?
The canonical SMILES for N',N'-dibenzyl-2-oxochromene-3-carbohydrazide is O=C(NN(Cc1ccccc1)Cc1ccccc1)c1cc2ccccc2oc1=O.
What is the InChIKey of N',N'-dibenzyl-2-oxochromene-3-carbohydrazide?
The InChIKey is IXXMNSZTCIVYSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O3/c27-23(21-15-20-13-7-8-14-22(20)29-24(21)28)25-26(16-18-9-3-1-4-10-18)17-19-11-5-2-6-12-19/h1-15H,16-17H2,(H,25,27).
What are the key properties of N',N'-dibenzyl-2-oxochromene-3-carbohydrazide?
N',N'-dibenzyl-2-oxochromene-3-carbohydrazide has a molecular weight of 384.44 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dibenzyl-2-oxochromene-3-carbohydrazide is sourced from PubChem (CID 9293863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).