(E)-N'-[2-(2-methoxyphenoxy)acetyl]-3-(3-nitrophenyl)prop-2-enehydrazide

C18H17N3O6 — CID 7943372

IUPAC(E)-N'-[2-(2-methoxyphenoxy)acetyl]-3-(3-nitrophenyl)prop-2-enehydrazide
SMILESCOc1ccccc1OCC(=O)NNC(=O)/C=C/c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C18H17N3O6/c1-26-15-7-2-3-8-16(15)27-12-18(23)20-19-17(22)10-9-13-5-4-6-14(11-13)21(24)25/h2-11H,12H2,1H3,(H,19,22)(H,20,23)/b10-9+
InChIKeyOONKWPRRCKHLNB-MDZDMXLPSA-N
MW371.35 g/mol
LogP1.84
Rot. Bonds7

About (E)-N'-[2-(2-methoxyphenoxy)acetyl]-3-(3-nitrophenyl)prop-2-enehydrazide

(E)-N'-[2-(2-methoxyphenoxy)acetyl]-3-(3-nitrophenyl)prop-2-enehydrazide (PubChem CID 7943372) has the molecular formula C18H17N3O6 and a molecular weight of 371.35 g/mol. Its IUPAC name is (E)-N'-[2-(2-methoxyphenoxy)acetyl]-3-(3-nitrophenyl)prop-2-enehydrazide.

Molecular Properties

Compound Name(E)-N'-[2-(2-methoxyphenoxy)acetyl]-3-(3-nitrophenyl)prop-2-enehydrazide
PubChem CID7943372
Molecular FormulaC18H17N3O6
Molecular Weight371.35 g/mol
Exact Mass371.11
IUPAC Name(E)-N'-[2-(2-methoxyphenoxy)acetyl]-3-(3-nitrophenyl)prop-2-enehydrazide
SMILESCOc1ccccc1OCC(=O)NNC(=O)/C=C/c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C18H17N3O6/c1-26-15-7-2-3-8-16(15)27-12-18(23)20-19-17(22)10-9-13-5-4-6-14(11-13)21(24)25/h2-11H,12H2,1H3,(H,19,22)(H,20,23)/b10-9+
InChIKeyOONKWPRRCKHLNB-MDZDMXLPSA-N
XLogP1.84
TPSA119.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.35
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

(E)-3-(3-nitrophenyl)-N'-[2-(2-propan-2-ylphenoxy)acetyl]prop-2-enehydrazide
CID 17176076
(E)-N'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-3-(3-nitrophenyl)prop-2-enehydrazide
CID 17176125
3-iodo-4-methoxy-N'-[(E)-3-(3-nitrophenyl)prop-2-enoyl]benzohydrazide
CID 17176085
4-[2-[(E)-3-(3-nitrophenyl)prop-2-enoyl]hydrazinyl]-4-oxo-N-phenylbutanamide
CID 17176089
[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]thiourea
CID 102535057
(E)-N-[[[2-(2-bromo-4-methylphenoxy)acetyl]amino]carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide
CID 17176414
(E)-3-(3-nitrophenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]prop-2-enamide
CID 7583236
(E)-N-[[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide
CID 17176402
(E)-3-(4-nitrophenyl)-N'-[2-(2-phenylphenoxy)acetyl]prop-2-enehydrazide
CID 6182233
[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl] (E)-3-(3-nitrophenyl)prop-2-enoate
CID 9290989
methyl 2-[3-(3-nitrophenyl)prop-2-enoylamino]acetate
CID 5060069
(E)-N'-[2-(2-butan-2-ylphenoxy)acetyl]-3-(4-nitrophenyl)prop-2-enehydrazide
CID 17187004

Frequently Asked Questions

What is the IUPAC name of (E)-N'-[2-(2-methoxyphenoxy)acetyl]-3-(3-nitrophenyl)prop-2-enehydrazide?
The IUPAC name of (E)-N'-[2-(2-methoxyphenoxy)acetyl]-3-(3-nitrophenyl)prop-2-enehydrazide (CID 7943372) is (E)-N'-[2-(2-methoxyphenoxy)acetyl]-3-(3-nitrophenyl)prop-2-enehydrazide.
What is the SMILES notation for (E)-N'-[2-(2-methoxyphenoxy)acetyl]-3-(3-nitrophenyl)prop-2-enehydrazide?
The canonical SMILES for (E)-N'-[2-(2-methoxyphenoxy)acetyl]-3-(3-nitrophenyl)prop-2-enehydrazide is COc1ccccc1OCC(=O)NNC(=O)/C=C/c1cccc([N+](=O)[O-])c1.
What is the InChIKey of (E)-N'-[2-(2-methoxyphenoxy)acetyl]-3-(3-nitrophenyl)prop-2-enehydrazide?
The InChIKey is OONKWPRRCKHLNB-MDZDMXLPSA-N. The full InChI is InChI=1S/C18H17N3O6/c1-26-15-7-2-3-8-16(15)27-12-18(23)20-19-17(22)10-9-13-5-4-6-14(11-13)21(24)25/h2-11H,12H2,1H3,(H,19,22)(H,20,23)/b10-9+.
What are the key properties of (E)-N'-[2-(2-methoxyphenoxy)acetyl]-3-(3-nitrophenyl)prop-2-enehydrazide?
(E)-N'-[2-(2-methoxyphenoxy)acetyl]-3-(3-nitrophenyl)prop-2-enehydrazide has a molecular weight of 371.35 g/mol, XLogP of 1.84, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N'-[2-(2-methoxyphenoxy)acetyl]-3-(3-nitrophenyl)prop-2-enehydrazide is sourced from PubChem (CID 7943372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).