2-methyl-N'-[(E)-3-(3-methylphenyl)prop-2-enoyl]furan-3-carbohydrazide

C16H16N2O3 — CID 9472636

IUPAC2-methyl-N'-[(E)-3-(3-methylphenyl)prop-2-enoyl]furan-3-carbohydrazide
SMILESCc1cccc(/C=C/C(=O)NNC(=O)c2ccoc2C)c1
InChIInChI=1S/C16H16N2O3/c1-11-4-3-5-13(10-11)6-7-15(19)17-18-16(20)14-8-9-21-12(14)2/h3-10H,1-2H3,(H,17,19)(H,18,20)/b7-6+
InChIKeyOTEKHQIMTIVXLN-VOTSOKGWSA-N
MW284.32 g/mol
LogP2.37
Rot. Bonds3

About 2-methyl-N'-[(E)-3-(3-methylphenyl)prop-2-enoyl]furan-3-carbohydrazide

2-methyl-N'-[(E)-3-(3-methylphenyl)prop-2-enoyl]furan-3-carbohydrazide (PubChem CID 9472636) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is 2-methyl-N'-[(E)-3-(3-methylphenyl)prop-2-enoyl]furan-3-carbohydrazide.

Molecular Properties

Compound Name2-methyl-N'-[(E)-3-(3-methylphenyl)prop-2-enoyl]furan-3-carbohydrazide
PubChem CID9472636
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC Name2-methyl-N'-[(E)-3-(3-methylphenyl)prop-2-enoyl]furan-3-carbohydrazide
SMILESCc1cccc(/C=C/C(=O)NNC(=O)c2ccoc2C)c1
InChIInChI=1S/C16H16N2O3/c1-11-4-3-5-13(10-11)6-7-15(19)17-18-16(20)14-8-9-21-12(14)2/h3-10H,1-2H3,(H,17,19)(H,18,20)/b7-6+
InChIKeyOTEKHQIMTIVXLN-VOTSOKGWSA-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

N'-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]-2-methylfuran-3-carbohydrazide
CID 9472746
2-methyl-N'-[(E)-3-(5-phenylthiophen-2-yl)prop-2-enoyl]furan-3-carbohydrazide
CID 26260570
N'-[(E)-3-(3-methylphenyl)prop-2-enoyl]-2-pyridin-2-ylquinoline-4-carbohydrazide
CID 26775351
1-N',4-N'-bis(2-methylfuran-3-carbonyl)benzene-1,4-dicarbohydrazide
CID 1011836
methyl 3-[[(Z)-3-(3-methylphenyl)prop-2-enoyl]amino]propanoate
CID 96561918
2-methyl-N'-[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]benzohydrazide
CID 9220913
(E)-3-[3-methyl-5-[(2-methylfuran-3-carbonyl)amino]phenyl]prop-2-enoic acid
CID 107580197
(E)-N-(4-acetamidophenyl)-3-(3-methylphenyl)prop-2-enamide
CID 26908907
(Z)-3-(3-methylphenyl)-N-phenylprop-2-enamide
CID 97305777
2-chloro-N'-[(E)-3-(3-methoxyphenyl)prop-2-enoyl]benzohydrazide
CID 35929315
2-methyl-N'-[(E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoyl]furan-3-carbohydrazide
CID 9326477
N'-(2,5-dichlorobenzoyl)-2-methylfuran-3-carbohydrazide
CID 965552

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N'-[(E)-3-(3-methylphenyl)prop-2-enoyl]furan-3-carbohydrazide?
The IUPAC name of 2-methyl-N'-[(E)-3-(3-methylphenyl)prop-2-enoyl]furan-3-carbohydrazide (CID 9472636) is 2-methyl-N'-[(E)-3-(3-methylphenyl)prop-2-enoyl]furan-3-carbohydrazide.
What is the SMILES notation for 2-methyl-N'-[(E)-3-(3-methylphenyl)prop-2-enoyl]furan-3-carbohydrazide?
The canonical SMILES for 2-methyl-N'-[(E)-3-(3-methylphenyl)prop-2-enoyl]furan-3-carbohydrazide is Cc1cccc(/C=C/C(=O)NNC(=O)c2ccoc2C)c1.
What is the InChIKey of 2-methyl-N'-[(E)-3-(3-methylphenyl)prop-2-enoyl]furan-3-carbohydrazide?
The InChIKey is OTEKHQIMTIVXLN-VOTSOKGWSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-11-4-3-5-13(10-11)6-7-15(19)17-18-16(20)14-8-9-21-12(14)2/h3-10H,1-2H3,(H,17,19)(H,18,20)/b7-6+.
What are the key properties of 2-methyl-N'-[(E)-3-(3-methylphenyl)prop-2-enoyl]furan-3-carbohydrazide?
2-methyl-N'-[(E)-3-(3-methylphenyl)prop-2-enoyl]furan-3-carbohydrazide 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'-[(E)-3-(3-methylphenyl)prop-2-enoyl]furan-3-carbohydrazide is sourced from PubChem (CID 9472636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).