N'-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]-4-nitrobenzohydrazide

C18H17N3O5 — CID 9314781

IUPACN'-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]-4-nitrobenzohydrazide
SMILESCCOc1ccc(/C=C/C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C18H17N3O5/c1-2-26-16-10-3-13(4-11-16)5-12-17(22)19-20-18(23)14-6-8-15(9-7-14)21(24)25/h3-12H,2H2,1H3,(H,19,22)(H,20,23)/b12-5+
InChIKeySJGFUKPWVLBUFC-LFYBBSHMSA-N
MW355.35 g/mol
LogP2.47
Rot. Bonds6

About N'-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]-4-nitrobenzohydrazide

N'-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]-4-nitrobenzohydrazide (PubChem CID 9314781) has the molecular formula C18H17N3O5 and a molecular weight of 355.35 g/mol. Its IUPAC name is N'-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]-4-nitrobenzohydrazide.

Molecular Properties

Compound NameN'-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]-4-nitrobenzohydrazide
PubChem CID9314781
Molecular FormulaC18H17N3O5
Molecular Weight355.35 g/mol
Exact Mass355.12
IUPAC NameN'-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]-4-nitrobenzohydrazide
SMILESCCOc1ccc(/C=C/C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C18H17N3O5/c1-2-26-16-10-3-13(4-11-16)5-12-17(22)19-20-18(23)14-6-8-15(9-7-14)21(24)25/h3-12H,2H2,1H3,(H,19,22)(H,20,23)/b12-5+
InChIKeySJGFUKPWVLBUFC-LFYBBSHMSA-N
XLogP2.47
TPSA110.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.35
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-hexoxy-N'-[(E)-3-(4-nitrophenyl)prop-2-enoyl]benzohydrazide
CID 17187078
methyl 4-[[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]amino]carbamoyl]benzoate
CID 21406094
N'-[(E)-3-(4-nitrophenyl)prop-2-enoyl]-4-phenylbenzohydrazide
CID 26253538
N-[4-[[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]amino]carbamoyl]phenyl]-2-methylpropanamide
CID 17227294
N-[(Z)-(4-ethoxyphenyl)methylideneamino]-4-nitrobenzamide
CID 5418193
(E)-3-(4-chlorophenyl)-N'-[2-(4-nitrophenoxy)acetyl]prop-2-enehydrazide
CID 17195593
N-(2,5-diethoxyphenyl)-3-(4-nitrophenyl)prop-2-enamide
CID 75618226
4-ethoxy-N'-[(E)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-enoyl]benzohydrazide
CID 9086485
(E)-3-(4-nitrophenyl)-1-(4-propoxyphenyl)prop-2-en-1-one
CID 8828153
(E)-N-(4-butoxyphenyl)-3-(4-nitrophenyl)prop-2-enamide
CID 17186941
N'-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]-2,4-dimethylbenzohydrazide
CID 9276376
(E)-N-[4-(2-methoxyethoxy)phenyl]-3-(4-nitrophenyl)prop-2-enamide
CID 17186952

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]-4-nitrobenzohydrazide?
The IUPAC name of N'-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]-4-nitrobenzohydrazide (CID 9314781) is N'-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]-4-nitrobenzohydrazide.
What is the SMILES notation for N'-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]-4-nitrobenzohydrazide?
The canonical SMILES for N'-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]-4-nitrobenzohydrazide is CCOc1ccc(/C=C/C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of N'-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]-4-nitrobenzohydrazide?
The InChIKey is SJGFUKPWVLBUFC-LFYBBSHMSA-N. The full InChI is InChI=1S/C18H17N3O5/c1-2-26-16-10-3-13(4-11-16)5-12-17(22)19-20-18(23)14-6-8-15(9-7-14)21(24)25/h3-12H,2H2,1H3,(H,19,22)(H,20,23)/b12-5+.
What are the key properties of N'-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]-4-nitrobenzohydrazide?
N'-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]-4-nitrobenzohydrazide has a molecular weight of 355.35 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]-4-nitrobenzohydrazide is sourced from PubChem (CID 9314781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).