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

C20H23N3O2 — CID 9432314

IUPAC(E)-N'-[2-(2,4-dimethylanilino)acetyl]-3-(2-methylphenyl)prop-2-enehydrazide
SMILESCc1ccc(NCC(=O)NNC(=O)/C=C/c2ccccc2C)c(C)c1
InChIInChI=1S/C20H23N3O2/c1-14-8-10-18(16(3)12-14)21-13-20(25)23-22-19(24)11-9-17-7-5-4-6-15(17)2/h4-12,21H,13H2,1-3H3,(H,22,24)(H,23,25)/b11-9+
InChIKeyJZYCKTPSEPSDCX-PKNBQFBNSA-N
MW337.42 g/mol
LogP2.88
Rot. Bonds5

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

(E)-N'-[2-(2,4-dimethylanilino)acetyl]-3-(2-methylphenyl)prop-2-enehydrazide (PubChem CID 9432314) 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-(2-methylphenyl)prop-2-enehydrazide.

Molecular Properties

Compound Name(E)-N'-[2-(2,4-dimethylanilino)acetyl]-3-(2-methylphenyl)prop-2-enehydrazide
PubChem CID9432314
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name(E)-N'-[2-(2,4-dimethylanilino)acetyl]-3-(2-methylphenyl)prop-2-enehydrazide
SMILESCc1ccc(NCC(=O)NNC(=O)/C=C/c2ccccc2C)c(C)c1
InChIInChI=1S/C20H23N3O2/c1-14-8-10-18(16(3)12-14)21-13-20(25)23-22-19(24)11-9-17-7-5-4-6-15(17)2/h4-12,21H,13H2,1-3H3,(H,22,24)(H,23,25)/b11-9+
InChIKeyJZYCKTPSEPSDCX-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-fluorophenyl)prop-2-enehydrazide
CID 9432147
(E)-N'-[2-(2,4-dimethylanilino)acetyl]-3-(4-methylphenyl)prop-2-enehydrazide
CID 9432686
(E)-3-(2,6-dichlorophenyl)-N'-[2-(2,4-dimethylanilino)acetyl]prop-2-enehydrazide
CID 9432330
(E)-3-(1,3-benzothiazol-2-yl)-N'-[2-(2,4-dimethylanilino)acetyl]prop-2-enehydrazide
CID 7923213
N'-[2-(2,4-dimethylanilino)acetyl]naphthalene-1-carbohydrazide
CID 102603460
N-[2-[2-[2-(2,4-dimethylanilino)acetyl]hydrazinyl]-2-oxoethyl]-2-fluorobenzamide
CID 9432088
2-(4-chlorophenyl)-N'-[2-(2,4-dimethylanilino)acetyl]acetohydrazide
CID 7923263
2-(2,4-dimethylanilino)-N'-[2-(9-oxoacridin-10-yl)acetyl]acetohydrazide
CID 55513954
N-(benzylideneamino)-2-(2,4-dimethylanilino)acetamide
CID 967979
(E)-N-(2-methoxy-5-methylphenyl)-3-(2-methylphenyl)prop-2-enamide
CID 9098414
N'-[2-(2,4-dimethylanilino)acetyl]thiophene-3-carbohydrazide
CID 51429705
(E)-N'-[2-(2,5-dimethylphenoxy)acetyl]-3-(2-methoxyphenyl)prop-2-enehydrazide
CID 78771977

Frequently Asked Questions

What is the IUPAC name of (E)-N'-[2-(2,4-dimethylanilino)acetyl]-3-(2-methylphenyl)prop-2-enehydrazide?
The IUPAC name of (E)-N'-[2-(2,4-dimethylanilino)acetyl]-3-(2-methylphenyl)prop-2-enehydrazide (CID 9432314) is (E)-N'-[2-(2,4-dimethylanilino)acetyl]-3-(2-methylphenyl)prop-2-enehydrazide.
What is the SMILES notation for (E)-N'-[2-(2,4-dimethylanilino)acetyl]-3-(2-methylphenyl)prop-2-enehydrazide?
The canonical SMILES for (E)-N'-[2-(2,4-dimethylanilino)acetyl]-3-(2-methylphenyl)prop-2-enehydrazide is Cc1ccc(NCC(=O)NNC(=O)/C=C/c2ccccc2C)c(C)c1.
What is the InChIKey of (E)-N'-[2-(2,4-dimethylanilino)acetyl]-3-(2-methylphenyl)prop-2-enehydrazide?
The InChIKey is JZYCKTPSEPSDCX-PKNBQFBNSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-14-8-10-18(16(3)12-14)21-13-20(25)23-22-19(24)11-9-17-7-5-4-6-15(17)2/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-(2-methylphenyl)prop-2-enehydrazide?
(E)-N'-[2-(2,4-dimethylanilino)acetyl]-3-(2-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-(2-methylphenyl)prop-2-enehydrazide is sourced from PubChem (CID 9432314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).