(E)-3-(2,3-dimethoxyphenyl)-N',N'-dimethylprop-2-enehydrazide

C13H18N2O3 — CID 9163798

IUPAC(E)-3-(2,3-dimethoxyphenyl)-N',N'-dimethylprop-2-enehydrazide
SMILESCOc1cccc(/C=C/C(=O)NN(C)C)c1OC
InChIInChI=1S/C13H18N2O3/c1-15(2)14-12(16)9-8-10-6-5-7-11(17-3)13(10)18-4/h5-9H,1-4H3,(H,14,16)/b9-8+
InChIKeyRCGZOKAVMSSYCP-CMDGGOBGSA-N
MW250.30 g/mol
LogP1.31
Rot. Bonds5

About (E)-3-(2,3-dimethoxyphenyl)-N',N'-dimethylprop-2-enehydrazide

(E)-3-(2,3-dimethoxyphenyl)-N',N'-dimethylprop-2-enehydrazide (PubChem CID 9163798) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is (E)-3-(2,3-dimethoxyphenyl)-N',N'-dimethylprop-2-enehydrazide.

Molecular Properties

Compound Name(E)-3-(2,3-dimethoxyphenyl)-N',N'-dimethylprop-2-enehydrazide
PubChem CID9163798
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name(E)-3-(2,3-dimethoxyphenyl)-N',N'-dimethylprop-2-enehydrazide
SMILESCOc1cccc(/C=C/C(=O)NN(C)C)c1OC
InChIInChI=1S/C13H18N2O3/c1-15(2)14-12(16)9-8-10-6-5-7-11(17-3)13(10)18-4/h5-9H,1-4H3,(H,14,16)/b9-8+
InChIKeyRCGZOKAVMSSYCP-CMDGGOBGSA-N
XLogP1.31
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

(E)-N-(4-acetamidophenyl)-3-(2,3-dimethoxyphenyl)prop-2-enamide
CID 7945153
N'-[3-(2,3-dimethoxyphenyl)prop-2-enoyl]benzohydrazide
CID 4789480
(E)-3-(2,3-dimethoxyphenyl)-N-(4-iodophenyl)prop-2-enamide
CID 2677492
(E)-N-[4-(carbamoylamino)phenyl]-3-(2,3-dimethoxyphenyl)prop-2-enamide
CID 46518654
(E)-3-(2,3-dimethoxyphenyl)-N-(4-methylpiperazin-4-ium-1-yl)prop-2-enamide
CID 9204831
(E)-3-(2,3-dimethoxyphenyl)-N-(3-iodophenyl)prop-2-enamide
CID 7928435
(E)-N-(3-chlorophenyl)-3-(2,3-dimethoxyphenyl)prop-2-enamide
CID 2665177
(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2,3-dimethoxyphenyl)prop-2-enamide
CID 2085926
(E)-3-(2,3-dimethoxyphenyl)-N-[(1S,2S)-2-methylcyclohexyl]prop-2-enamide
CID 8004597
1-[3-(2,3-dimethoxyphenyl)prop-2-enoylamino]cyclohexane-1-carboxylic acid
CID 67179836
(E)-3-(2,3-dimethoxyphenyl)-N-(2-phenylphenyl)prop-2-enamide
CID 2431859
(E)-N-(3-chloro-4-methoxyphenyl)-3-(2,3-dimethoxyphenyl)prop-2-enamide
CID 2590853

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,3-dimethoxyphenyl)-N',N'-dimethylprop-2-enehydrazide?
The IUPAC name of (E)-3-(2,3-dimethoxyphenyl)-N',N'-dimethylprop-2-enehydrazide (CID 9163798) is (E)-3-(2,3-dimethoxyphenyl)-N',N'-dimethylprop-2-enehydrazide.
What is the SMILES notation for (E)-3-(2,3-dimethoxyphenyl)-N',N'-dimethylprop-2-enehydrazide?
The canonical SMILES for (E)-3-(2,3-dimethoxyphenyl)-N',N'-dimethylprop-2-enehydrazide is COc1cccc(/C=C/C(=O)NN(C)C)c1OC.
What is the InChIKey of (E)-3-(2,3-dimethoxyphenyl)-N',N'-dimethylprop-2-enehydrazide?
The InChIKey is RCGZOKAVMSSYCP-CMDGGOBGSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-15(2)14-12(16)9-8-10-6-5-7-11(17-3)13(10)18-4/h5-9H,1-4H3,(H,14,16)/b9-8+.
What are the key properties of (E)-3-(2,3-dimethoxyphenyl)-N',N'-dimethylprop-2-enehydrazide?
(E)-3-(2,3-dimethoxyphenyl)-N',N'-dimethylprop-2-enehydrazide has a molecular weight of 250.30 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,3-dimethoxyphenyl)-N',N'-dimethylprop-2-enehydrazide is sourced from PubChem (CID 9163798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).