2-methyl-N'-[3-(5-methylfuran-2-yl)prop-2-enoyl]benzohydrazide

C16H16N2O3 — CID 909150

IUPAC2-methyl-N'-[3-(5-methylfuran-2-yl)prop-2-enoyl]benzohydrazide
SMILESCc1ccc(C=CC(=O)NNC(=O)c2ccccc2C)o1
InChIInChI=1S/C16H16N2O3/c1-11-5-3-4-6-14(11)16(20)18-17-15(19)10-9-13-8-7-12(2)21-13/h3-10H,1-2H3,(H,17,19)(H,18,20)
InChIKeyGANWWNNZZUYGKZ-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.37
Rot. Bonds3

About 2-methyl-N'-[3-(5-methylfuran-2-yl)prop-2-enoyl]benzohydrazide

2-methyl-N'-[3-(5-methylfuran-2-yl)prop-2-enoyl]benzohydrazide (PubChem CID 909150) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is 2-methyl-N'-[3-(5-methylfuran-2-yl)prop-2-enoyl]benzohydrazide.

Molecular Properties

Compound Name2-methyl-N'-[3-(5-methylfuran-2-yl)prop-2-enoyl]benzohydrazide
PubChem CID909150
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC Name2-methyl-N'-[3-(5-methylfuran-2-yl)prop-2-enoyl]benzohydrazide
SMILESCc1ccc(C=CC(=O)NNC(=O)c2ccccc2C)o1
InChIInChI=1S/C16H16N2O3/c1-11-5-3-4-6-14(11)16(20)18-17-15(19)10-9-13-8-7-12(2)21-13/h3-10H,1-2H3,(H,17,19)(H,18,20)
InChIKeyGANWWNNZZUYGKZ-UHFFFAOYSA-N
XLogP2.37
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N'-[3-(5-methylfuran-2-yl)prop-2-enoyl]benzohydrazide
CID 932790
2,5-dichloro-N'-[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]benzohydrazide
CID 26891412
(E)-N-[[(2-iodobenzoyl)amino]carbamothioyl]-3-(5-methylfuran-2-yl)prop-2-enamide
CID 6291665
(E)-3-(5-methylfuran-2-yl)-N-[2-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]phenyl]prop-2-enamide
CID 1291262
2-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]-N-prop-2-enylbenzamide
CID 18158409
2-methyl-N'-[(E)-3-(3-methylthiophen-2-yl)prop-2-enoyl]benzohydrazide
CID 9220828
2,5-dimethyl-N'-(2-methylbenzoyl)furan-3-carbohydrazide
CID 7808967
2-chloro-N'-[(E)-3-(2-methylphenyl)prop-2-enoyl]benzohydrazide
CID 9339631
N'-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-2-methylbenzohydrazide
CID 923611
(E)-N-tert-butyl-3-(5-methylfuran-2-yl)prop-2-enamide
CID 923455
(E)-N-[2,2-dimethyl-3-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]propyl]-3-(5-methylfuran-2-yl)prop-2-enamide
CID 2165350
2-methyl-N'-[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]benzohydrazide
CID 9220913

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N'-[3-(5-methylfuran-2-yl)prop-2-enoyl]benzohydrazide?
The IUPAC name of 2-methyl-N'-[3-(5-methylfuran-2-yl)prop-2-enoyl]benzohydrazide (CID 909150) is 2-methyl-N'-[3-(5-methylfuran-2-yl)prop-2-enoyl]benzohydrazide.
What is the SMILES notation for 2-methyl-N'-[3-(5-methylfuran-2-yl)prop-2-enoyl]benzohydrazide?
The canonical SMILES for 2-methyl-N'-[3-(5-methylfuran-2-yl)prop-2-enoyl]benzohydrazide is Cc1ccc(C=CC(=O)NNC(=O)c2ccccc2C)o1.
What is the InChIKey of 2-methyl-N'-[3-(5-methylfuran-2-yl)prop-2-enoyl]benzohydrazide?
The InChIKey is GANWWNNZZUYGKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-11-5-3-4-6-14(11)16(20)18-17-15(19)10-9-13-8-7-12(2)21-13/h3-10H,1-2H3,(H,17,19)(H,18,20).
What are the key properties of 2-methyl-N'-[3-(5-methylfuran-2-yl)prop-2-enoyl]benzohydrazide?
2-methyl-N'-[3-(5-methylfuran-2-yl)prop-2-enoyl]benzohydrazide has a molecular weight of 284.32 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-[3-(5-methylfuran-2-yl)prop-2-enoyl]benzohydrazide is sourced from PubChem (CID 909150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).