propan-2-yl 3-[5-[(Z)-[(4-methylbenzoyl)hydrazinylidene]methyl]furan-2-yl]benzoate

C23H22N2O4 — CID 126181380

IUPACpropan-2-yl 3-[5-[(Z)-[(4-methylbenzoyl)hydrazinylidene]methyl]furan-2-yl]benzoate
SMILESCc1ccc(C(=O)N/N=C\c2ccc(-c3cccc(C(=O)OC(C)C)c3)o2)cc1
InChIInChI=1S/C23H22N2O4/c1-15(2)28-23(27)19-6-4-5-18(13-19)21-12-11-20(29-21)14-24-25-22(26)17-9-7-16(3)8-10-17/h4-15H,1-3H3,(H,25,26)/b24-14-
InChIKeyPVVWEEFRQRVOKP-OYKKKHCWSA-N
MW390.44 g/mol
LogP4.58
Rot. Bonds6

About propan-2-yl 3-[5-[(Z)-[(4-methylbenzoyl)hydrazinylidene]methyl]furan-2-yl]benzoate

propan-2-yl 3-[5-[(Z)-[(4-methylbenzoyl)hydrazinylidene]methyl]furan-2-yl]benzoate (PubChem CID 126181380) has the molecular formula C23H22N2O4 and a molecular weight of 390.44 g/mol. Its IUPAC name is propan-2-yl 3-[5-[(Z)-[(4-methylbenzoyl)hydrazinylidene]methyl]furan-2-yl]benzoate.

Molecular Properties

Compound Namepropan-2-yl 3-[5-[(Z)-[(4-methylbenzoyl)hydrazinylidene]methyl]furan-2-yl]benzoate
PubChem CID126181380
Molecular FormulaC23H22N2O4
Molecular Weight390.44 g/mol
Exact Mass390.16
IUPAC Namepropan-2-yl 3-[5-[(Z)-[(4-methylbenzoyl)hydrazinylidene]methyl]furan-2-yl]benzoate
SMILESCc1ccc(C(=O)N/N=C\c2ccc(-c3cccc(C(=O)OC(C)C)c3)o2)cc1
InChIInChI=1S/C23H22N2O4/c1-15(2)28-23(27)19-6-4-5-18(13-19)21-12-11-20(29-21)14-24-25-22(26)17-9-7-16(3)8-10-17/h4-15H,1-3H3,(H,25,26)/b24-14-
InChIKeyPVVWEEFRQRVOKP-OYKKKHCWSA-N
XLogP4.58
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

propan-2-yl 3-[5-[(Z)-[(2,4-dichlorobenzoyl)hydrazinylidene]methyl]furan-2-yl]benzoate
CID 126170880
propan-2-yl 3-[5-[(E)-[[(2S)-3-methyl-2-[(3-methylbenzoyl)amino]butanoyl]hydrazinylidene]methyl]furan-2-yl]benzoate
CID 126159935
ethyl 3-[5-[[(2-methoxybenzoyl)hydrazinylidene]methyl]furan-2-yl]benzoate
CID 3598740
N-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-4-methylbenzamide
CID 6872153
methyl 3-[5-[(Z)-(carbamoylhydrazinylidene)methyl]furan-2-yl]benzoate
CID 6255875
propan-2-yl 3-[5-[(Z)-[[(2S)-2-[[2-(2-chlorophenoxy)acetyl]amino]propanoyl]hydrazinylidene]methyl]furan-2-yl]benzoate
CID 126168529
methyl 3-[5-[(Z)-[(2-aminobenzoyl)hydrazinylidene]methyl]furan-2-yl]benzoate
CID 6006584
methyl 3-[5-[(E)-[(2-bromobenzoyl)hydrazinylidene]methyl]furan-2-yl]benzoate
CID 17245292
N-[(E)-[5-(3-acetylphenyl)furan-2-yl]methylideneamino]-N'-[(Z)-[5-(3-acetylphenyl)furan-2-yl]methylideneamino]oxamide
CID 27059659
3-[5-[[(5-methylfuran-2-carbonyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid
CID 681683
N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]-4-propan-2-yloxybenzamide
CID 9215771
methyl 3-[5-[(E)-[(5-bromo-2-hydroxybenzoyl)hydrazinylidene]methyl]furan-2-yl]benzoate
CID 98089013

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-[5-[(Z)-[(4-methylbenzoyl)hydrazinylidene]methyl]furan-2-yl]benzoate?
The IUPAC name of propan-2-yl 3-[5-[(Z)-[(4-methylbenzoyl)hydrazinylidene]methyl]furan-2-yl]benzoate (CID 126181380) is propan-2-yl 3-[5-[(Z)-[(4-methylbenzoyl)hydrazinylidene]methyl]furan-2-yl]benzoate.
What is the SMILES notation for propan-2-yl 3-[5-[(Z)-[(4-methylbenzoyl)hydrazinylidene]methyl]furan-2-yl]benzoate?
The canonical SMILES for propan-2-yl 3-[5-[(Z)-[(4-methylbenzoyl)hydrazinylidene]methyl]furan-2-yl]benzoate is Cc1ccc(C(=O)N/N=C\c2ccc(-c3cccc(C(=O)OC(C)C)c3)o2)cc1.
What is the InChIKey of propan-2-yl 3-[5-[(Z)-[(4-methylbenzoyl)hydrazinylidene]methyl]furan-2-yl]benzoate?
The InChIKey is PVVWEEFRQRVOKP-OYKKKHCWSA-N. The full InChI is InChI=1S/C23H22N2O4/c1-15(2)28-23(27)19-6-4-5-18(13-19)21-12-11-20(29-21)14-24-25-22(26)17-9-7-16(3)8-10-17/h4-15H,1-3H3,(H,25,26)/b24-14-.
What are the key properties of propan-2-yl 3-[5-[(Z)-[(4-methylbenzoyl)hydrazinylidene]methyl]furan-2-yl]benzoate?
propan-2-yl 3-[5-[(Z)-[(4-methylbenzoyl)hydrazinylidene]methyl]furan-2-yl]benzoate has a molecular weight of 390.44 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3-[5-[(Z)-[(4-methylbenzoyl)hydrazinylidene]methyl]furan-2-yl]benzoate is sourced from PubChem (CID 126181380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).