N'-[(E)-3-(2,5-dimethoxyphenyl)prop-2-enoyl]-4-methylbenzohydrazide

C19H20N2O4 — CID 2672384

IUPACN'-[(E)-3-(2,5-dimethoxyphenyl)prop-2-enoyl]-4-methylbenzohydrazide
SMILESCOc1ccc(OC)c(/C=C/C(=O)NNC(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C19H20N2O4/c1-13-4-6-14(7-5-13)19(23)21-20-18(22)11-8-15-12-16(24-2)9-10-17(15)25-3/h4-12H,1-3H3,(H,20,22)(H,21,23)/b11-8+
InChIKeyBLXJBJDVLFEHLH-DHZHZOJOSA-N
MW340.38 g/mol
LogP2.49
Rot. Bonds5

About N'-[(E)-3-(2,5-dimethoxyphenyl)prop-2-enoyl]-4-methylbenzohydrazide

N'-[(E)-3-(2,5-dimethoxyphenyl)prop-2-enoyl]-4-methylbenzohydrazide (PubChem CID 2672384) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is N'-[(E)-3-(2,5-dimethoxyphenyl)prop-2-enoyl]-4-methylbenzohydrazide.

Molecular Properties

Compound NameN'-[(E)-3-(2,5-dimethoxyphenyl)prop-2-enoyl]-4-methylbenzohydrazide
PubChem CID2672384
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC NameN'-[(E)-3-(2,5-dimethoxyphenyl)prop-2-enoyl]-4-methylbenzohydrazide
SMILESCOc1ccc(OC)c(/C=C/C(=O)NNC(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C19H20N2O4/c1-13-4-6-14(7-5-13)19(23)21-20-18(22)11-8-15-12-16(24-2)9-10-17(15)25-3/h4-12H,1-3H3,(H,20,22)(H,21,23)/b11-8+
InChIKeyBLXJBJDVLFEHLH-DHZHZOJOSA-N
XLogP2.49
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.49
H-Bond Donors ≤ 52
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

4-methoxy-N'-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]benzohydrazide
CID 926990
N'-[(E)-3-(2,5-dimethoxyphenyl)prop-2-enoyl]-2,5-dimethylfuran-3-carbohydrazide
CID 2715711
(E)-3-(2,5-dimethoxyphenyl)-N'-[2-(3,5-dimethylphenoxy)acetyl]prop-2-enehydrazide
CID 19167688
(E)-3-(2,5-dimethoxyphenyl)-N-(3,5-dimethylphenyl)prop-2-enamide
CID 2683290
3-(dimethylamino)-N'-[(E)-3-(2-methoxy-5-methylphenyl)prop-2-enoyl]benzohydrazide
CID 26262587
4-methoxy-N'-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]benzohydrazide
CID 7948325
3-bromo-4-methoxy-N'-[(E)-3-(4-methylphenyl)prop-2-enoyl]benzohydrazide
CID 6120980
N'-[(E)-3-(4-butoxy-3-methoxyphenyl)prop-2-enoyl]-4-methylbenzohydrazide
CID 9475903
3-(2,5-dimethoxyphenyl)-N-propan-2-ylprop-2-enamide
CID 732638
N,3-bis(2,5-dimethoxyphenyl)prop-2-enamide
CID 732464
(E)-N-(2-chloro-4-methylphenyl)-3-(2,5-dimethoxyphenyl)prop-2-enamide
CID 7926708
(E)-3-(2,5-dimethoxyphenyl)-1-(4-iodophenyl)prop-2-en-1-one
CID 6048491

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-3-(2,5-dimethoxyphenyl)prop-2-enoyl]-4-methylbenzohydrazide?
The IUPAC name of N'-[(E)-3-(2,5-dimethoxyphenyl)prop-2-enoyl]-4-methylbenzohydrazide (CID 2672384) is N'-[(E)-3-(2,5-dimethoxyphenyl)prop-2-enoyl]-4-methylbenzohydrazide.
What is the SMILES notation for N'-[(E)-3-(2,5-dimethoxyphenyl)prop-2-enoyl]-4-methylbenzohydrazide?
The canonical SMILES for N'-[(E)-3-(2,5-dimethoxyphenyl)prop-2-enoyl]-4-methylbenzohydrazide is COc1ccc(OC)c(/C=C/C(=O)NNC(=O)c2ccc(C)cc2)c1.
What is the InChIKey of N'-[(E)-3-(2,5-dimethoxyphenyl)prop-2-enoyl]-4-methylbenzohydrazide?
The InChIKey is BLXJBJDVLFEHLH-DHZHZOJOSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-13-4-6-14(7-5-13)19(23)21-20-18(22)11-8-15-12-16(24-2)9-10-17(15)25-3/h4-12H,1-3H3,(H,20,22)(H,21,23)/b11-8+.
What are the key properties of N'-[(E)-3-(2,5-dimethoxyphenyl)prop-2-enoyl]-4-methylbenzohydrazide?
N'-[(E)-3-(2,5-dimethoxyphenyl)prop-2-enoyl]-4-methylbenzohydrazide has a molecular weight of 340.38 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-3-(2,5-dimethoxyphenyl)prop-2-enoyl]-4-methylbenzohydrazide is sourced from PubChem (CID 2672384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).