(E)-N'-[2-(2,4-dimethylanilino)acetyl]-3-(4-methylphenyl)prop-2-enehydrazide

C20H23N3O2 — CID 9432686

IUPAC(E)-N'-[2-(2,4-dimethylanilino)acetyl]-3-(4-methylphenyl)prop-2-enehydrazide
SMILESCc1ccc(/C=C/C(=O)NNC(=O)CNc2ccc(C)cc2C)cc1
InChIInChI=1S/C20H23N3O2/c1-14-4-7-17(8-5-14)9-11-19(24)22-23-20(25)13-21-18-10-6-15(2)12-16(18)3/h4-12,21H,13H2,1-3H3,(H,22,24)(H,23,25)/b11-9+
InChIKeyVTMPINSIIDJUPS-PKNBQFBNSA-N
MW337.42 g/mol
LogP2.88
Rot. Bonds5

About (E)-N'-[2-(2,4-dimethylanilino)acetyl]-3-(4-methylphenyl)prop-2-enehydrazide

(E)-N'-[2-(2,4-dimethylanilino)acetyl]-3-(4-methylphenyl)prop-2-enehydrazide (PubChem CID 9432686) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is (E)-N'-[2-(2,4-dimethylanilino)acetyl]-3-(4-methylphenyl)prop-2-enehydrazide.

Molecular Properties

Compound Name(E)-N'-[2-(2,4-dimethylanilino)acetyl]-3-(4-methylphenyl)prop-2-enehydrazide
PubChem CID9432686
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name(E)-N'-[2-(2,4-dimethylanilino)acetyl]-3-(4-methylphenyl)prop-2-enehydrazide
SMILESCc1ccc(/C=C/C(=O)NNC(=O)CNc2ccc(C)cc2C)cc1
InChIInChI=1S/C20H23N3O2/c1-14-4-7-17(8-5-14)9-11-19(24)22-23-20(25)13-21-18-10-6-15(2)12-16(18)3/h4-12,21H,13H2,1-3H3,(H,22,24)(H,23,25)/b11-9+
InChIKeyVTMPINSIIDJUPS-PKNBQFBNSA-N
XLogP2.88
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.88
H-Bond Donors ≤ 53
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

(E)-N'-[2-(2,4-dimethylanilino)acetyl]-3-(2-methylphenyl)prop-2-enehydrazide
CID 9432314
(E)-3-(2,6-dichlorophenyl)-N'-[2-(2,4-dimethylanilino)acetyl]prop-2-enehydrazide
CID 9432330
(E)-N'-[2-(2,4-dimethylanilino)acetyl]-3-(2-fluorophenyl)prop-2-enehydrazide
CID 9432147
(E)-N-(2,4-dimethylphenyl)-3-(4-methylphenyl)prop-2-enamide
CID 969096
(E)-3-(1,3-benzothiazol-2-yl)-N'-[2-(2,4-dimethylanilino)acetyl]prop-2-enehydrazide
CID 7923213
2-(4-chlorophenyl)-N'-[2-(2,4-dimethylanilino)acetyl]acetohydrazide
CID 7923263
2-(2,4-dimethylanilino)-N-[(4-hydroxyphenyl)methylideneamino]acetamide
CID 967994
3-(4-bromophenyl)-N-(2,4-dimethylphenyl)prop-2-enamide
CID 4256749
(E)-N'-[2-(2,4-dibromo-6-methylphenoxy)acetyl]-3-(4-methylphenyl)prop-2-enehydrazide
CID 6121077
N'-[2-(2,4-dimethylanilino)acetyl]thiophene-3-carbohydrazide
CID 51429705
2-(2,4-dimethylanilino)-N-prop-2-enylacetamide
CID 39243861
N'-[2-(2,4-dimethylanilino)acetyl]-4-(3,4-dimethylphenyl)-4-oxobutanehydrazide
CID 55406874

Frequently Asked Questions

What is the IUPAC name of (E)-N'-[2-(2,4-dimethylanilino)acetyl]-3-(4-methylphenyl)prop-2-enehydrazide?
The IUPAC name of (E)-N'-[2-(2,4-dimethylanilino)acetyl]-3-(4-methylphenyl)prop-2-enehydrazide (CID 9432686) is (E)-N'-[2-(2,4-dimethylanilino)acetyl]-3-(4-methylphenyl)prop-2-enehydrazide.
What is the SMILES notation for (E)-N'-[2-(2,4-dimethylanilino)acetyl]-3-(4-methylphenyl)prop-2-enehydrazide?
The canonical SMILES for (E)-N'-[2-(2,4-dimethylanilino)acetyl]-3-(4-methylphenyl)prop-2-enehydrazide is Cc1ccc(/C=C/C(=O)NNC(=O)CNc2ccc(C)cc2C)cc1.
What is the InChIKey of (E)-N'-[2-(2,4-dimethylanilino)acetyl]-3-(4-methylphenyl)prop-2-enehydrazide?
The InChIKey is VTMPINSIIDJUPS-PKNBQFBNSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-14-4-7-17(8-5-14)9-11-19(24)22-23-20(25)13-21-18-10-6-15(2)12-16(18)3/h4-12,21H,13H2,1-3H3,(H,22,24)(H,23,25)/b11-9+.
What are the key properties of (E)-N'-[2-(2,4-dimethylanilino)acetyl]-3-(4-methylphenyl)prop-2-enehydrazide?
(E)-N'-[2-(2,4-dimethylanilino)acetyl]-3-(4-methylphenyl)prop-2-enehydrazide has a molecular weight of 337.42 g/mol, XLogP of 2.88, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N'-[2-(2,4-dimethylanilino)acetyl]-3-(4-methylphenyl)prop-2-enehydrazide is sourced from PubChem (CID 9432686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).