(E)-3-(3,4-dihydroxyphenyl)-N'-(2-naphthalen-1-yloxyacetyl)prop-2-enehydrazide

C21H18N2O5 — CID 162670976

IUPAC(E)-3-(3,4-dihydroxyphenyl)-N'-(2-naphthalen-1-yloxyacetyl)prop-2-enehydrazide
SMILESO=C(/C=C/c1ccc(O)c(O)c1)NNC(=O)COc1cccc2ccccc12
InChIInChI=1S/C21H18N2O5/c24-17-10-8-14(12-18(17)25)9-11-20(26)22-23-21(27)13-28-19-7-3-5-15-4-1-2-6-16(15)19/h1-12,24-25H,13H2,(H,22,26)(H,23,27)/b11-9+
InChIKeyXINVEFXYCNWTDI-PKNBQFBNSA-N
MW378.38 g/mol
LogP2.49
Rot. Bonds5

About (E)-3-(3,4-dihydroxyphenyl)-N'-(2-naphthalen-1-yloxyacetyl)prop-2-enehydrazide

(E)-3-(3,4-dihydroxyphenyl)-N'-(2-naphthalen-1-yloxyacetyl)prop-2-enehydrazide (PubChem CID 162670976) has the molecular formula C21H18N2O5 and a molecular weight of 378.38 g/mol. Its IUPAC name is (E)-3-(3,4-dihydroxyphenyl)-N'-(2-naphthalen-1-yloxyacetyl)prop-2-enehydrazide.

Molecular Properties

Compound Name(E)-3-(3,4-dihydroxyphenyl)-N'-(2-naphthalen-1-yloxyacetyl)prop-2-enehydrazide
PubChem CID162670976
Molecular FormulaC21H18N2O5
Molecular Weight378.38 g/mol
Exact Mass378.12
IUPAC Name(E)-3-(3,4-dihydroxyphenyl)-N'-(2-naphthalen-1-yloxyacetyl)prop-2-enehydrazide
SMILESO=C(/C=C/c1ccc(O)c(O)c1)NNC(=O)COc1cccc2ccccc12
InChIInChI=1S/C21H18N2O5/c24-17-10-8-14(12-18(17)25)9-11-20(26)22-23-21(27)13-28-19-7-3-5-15-4-1-2-6-16(15)19/h1-12,24-25H,13H2,(H,22,26)(H,23,27)/b11-9+
InChIKeyXINVEFXYCNWTDI-PKNBQFBNSA-N
XLogP2.49
TPSA107.89 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.38
LogP ≤ 52.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(4-chlorophenyl)-N'-(2-naphthalen-1-yloxyacetyl)prop-2-enehydrazide
CID 17195601
N'-acetyl-2-naphthalen-1-yloxyacetohydrazide
CID 922179
2-naphthalen-2-yloxy-N'-(2-naphthalen-1-yloxyacetyl)acetohydrazide
CID 4228152
(E)-3-(4-ethoxyphenyl)-N-[[(2-naphthalen-1-yloxyacetyl)amino]carbamothioyl]prop-2-enamide
CID 17227671
(E)-N'-[2-(2-methylphenoxy)acetyl]-3-naphthalen-1-ylprop-2-enehydrazide
CID 6297721
3-naphthalen-1-yl-N'-[2-(2-phenylphenoxy)acetyl]prop-2-enehydrazide
CID 5089375
(E)-N'-[2-(2,3-dimethylphenoxy)acetyl]-3-phenylprop-2-enehydrazide
CID 17343908
N'-[2-(2,4-dichlorophenoxy)acetyl]-3-naphthalen-1-ylprop-2-enehydrazide
CID 5191338
3-phenyl-N'-[2-(2-phenylphenoxy)acetyl]prop-2-enehydrazide
CID 5088874
2-naphthalen-1-yloxy-N-[[4-[[(2-naphthalen-1-yloxyacetyl)hydrazinylidene]methyl]phenyl]methylideneamino]acetamide
CID 3274359
(E)-N'-[2-(2-methoxyphenoxy)acetyl]-3-(3-nitrophenyl)prop-2-enehydrazide
CID 7943372
(Z)-N-benzyl-3-(3,4-dihydroxyphenyl)prop-2-enamide
CID 23275357

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3,4-dihydroxyphenyl)-N'-(2-naphthalen-1-yloxyacetyl)prop-2-enehydrazide?
The IUPAC name of (E)-3-(3,4-dihydroxyphenyl)-N'-(2-naphthalen-1-yloxyacetyl)prop-2-enehydrazide (CID 162670976) is (E)-3-(3,4-dihydroxyphenyl)-N'-(2-naphthalen-1-yloxyacetyl)prop-2-enehydrazide.
What is the SMILES notation for (E)-3-(3,4-dihydroxyphenyl)-N'-(2-naphthalen-1-yloxyacetyl)prop-2-enehydrazide?
The canonical SMILES for (E)-3-(3,4-dihydroxyphenyl)-N'-(2-naphthalen-1-yloxyacetyl)prop-2-enehydrazide is O=C(/C=C/c1ccc(O)c(O)c1)NNC(=O)COc1cccc2ccccc12.
What is the InChIKey of (E)-3-(3,4-dihydroxyphenyl)-N'-(2-naphthalen-1-yloxyacetyl)prop-2-enehydrazide?
The InChIKey is XINVEFXYCNWTDI-PKNBQFBNSA-N. The full InChI is InChI=1S/C21H18N2O5/c24-17-10-8-14(12-18(17)25)9-11-20(26)22-23-21(27)13-28-19-7-3-5-15-4-1-2-6-16(15)19/h1-12,24-25H,13H2,(H,22,26)(H,23,27)/b11-9+.
What are the key properties of (E)-3-(3,4-dihydroxyphenyl)-N'-(2-naphthalen-1-yloxyacetyl)prop-2-enehydrazide?
(E)-3-(3,4-dihydroxyphenyl)-N'-(2-naphthalen-1-yloxyacetyl)prop-2-enehydrazide has a molecular weight of 378.38 g/mol, XLogP of 2.49, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3,4-dihydroxyphenyl)-N'-(2-naphthalen-1-yloxyacetyl)prop-2-enehydrazide is sourced from PubChem (CID 162670976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).