3-morpholin-4-yl-N'-[3-(3-nitrophenyl)prop-2-enoyl]propanehydrazide

C16H20N4O5 — CID 3887440

IUPAC3-morpholin-4-yl-N'-[3-(3-nitrophenyl)prop-2-enoyl]propanehydrazide
SMILESO=C(C=Cc1cccc([N+](=O)[O-])c1)NNC(=O)CCN1CCOCC1
InChIInChI=1S/C16H20N4O5/c21-15(5-4-13-2-1-3-14(12-13)20(23)24)17-18-16(22)6-7-19-8-10-25-11-9-19/h1-5,12H,6-11H2,(H,17,21)(H,18,22)
InChIKeyOBMNMPNPSWWRAD-UHFFFAOYSA-N
MW348.36 g/mol
LogP0.48
Rot. Bonds6

About 3-morpholin-4-yl-N'-[3-(3-nitrophenyl)prop-2-enoyl]propanehydrazide

3-morpholin-4-yl-N'-[3-(3-nitrophenyl)prop-2-enoyl]propanehydrazide (PubChem CID 3887440) has the molecular formula C16H20N4O5 and a molecular weight of 348.36 g/mol. Its IUPAC name is 3-morpholin-4-yl-N'-[3-(3-nitrophenyl)prop-2-enoyl]propanehydrazide.

Molecular Properties

Compound Name3-morpholin-4-yl-N'-[3-(3-nitrophenyl)prop-2-enoyl]propanehydrazide
PubChem CID3887440
Molecular FormulaC16H20N4O5
Molecular Weight348.36 g/mol
Exact Mass348.14
IUPAC Name3-morpholin-4-yl-N'-[3-(3-nitrophenyl)prop-2-enoyl]propanehydrazide
SMILESO=C(C=Cc1cccc([N+](=O)[O-])c1)NNC(=O)CCN1CCOCC1
InChIInChI=1S/C16H20N4O5/c21-15(5-4-13-2-1-3-14(12-13)20(23)24)17-18-16(22)6-7-19-8-10-25-11-9-19/h1-5,12H,6-11H2,(H,17,21)(H,18,22)
InChIKeyOBMNMPNPSWWRAD-UHFFFAOYSA-N
XLogP0.48
TPSA113.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 50.48
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'}

Analyze 3-morpholin-4-yl-N'-[3-(3-nitrophenyl)prop-2-enoyl]propanehydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-5-morpholin-4-yl-1-(3-nitrophenyl)pent-1-en-3-one
CID 12842153
3-morpholin-4-yl-N'-(3-phenylprop-2-enoyl)propanehydrazide;hydrochloride
CID 73242622
4-[2-[(E)-3-(3-nitrophenyl)prop-2-enoyl]hydrazinyl]-4-oxo-N-phenylbutanamide
CID 17176089
(E)-1-morpholin-4-yl-3-(3-nitrophenyl)prop-2-en-1-one
CID 682151
1-morpholin-4-yl-3-(3-nitrophenyl)prop-2-en-1-one
CID 682150
(Z)-N-(2-morpholin-4-ylethyl)-3-(4-nitrophenyl)prop-2-enamide
CID 2166442
(E)-N-(2-methyl-4-morpholin-4-ylphenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 55615392
[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]thiourea
CID 102535057
(E)-N-(1-methylpiperidin-4-yl)-3-(3-nitrophenyl)prop-2-enamide
CID 98271556
(E)-N-(3-bromo-4-morpholin-4-ylphenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 17220767
(E)-N'-[2-(2-methoxyphenoxy)acetyl]-3-(3-nitrophenyl)prop-2-enehydrazide
CID 7943372
(E)-3-(3-nitrophenyl)-N'-[2-(2-propan-2-ylphenoxy)acetyl]prop-2-enehydrazide
CID 17176076

Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-yl-N'-[3-(3-nitrophenyl)prop-2-enoyl]propanehydrazide?
The IUPAC name of 3-morpholin-4-yl-N'-[3-(3-nitrophenyl)prop-2-enoyl]propanehydrazide (CID 3887440) is 3-morpholin-4-yl-N'-[3-(3-nitrophenyl)prop-2-enoyl]propanehydrazide.
What is the SMILES notation for 3-morpholin-4-yl-N'-[3-(3-nitrophenyl)prop-2-enoyl]propanehydrazide?
The canonical SMILES for 3-morpholin-4-yl-N'-[3-(3-nitrophenyl)prop-2-enoyl]propanehydrazide is O=C(C=Cc1cccc([N+](=O)[O-])c1)NNC(=O)CCN1CCOCC1.
What is the InChIKey of 3-morpholin-4-yl-N'-[3-(3-nitrophenyl)prop-2-enoyl]propanehydrazide?
The InChIKey is OBMNMPNPSWWRAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O5/c21-15(5-4-13-2-1-3-14(12-13)20(23)24)17-18-16(22)6-7-19-8-10-25-11-9-19/h1-5,12H,6-11H2,(H,17,21)(H,18,22).
What are the key properties of 3-morpholin-4-yl-N'-[3-(3-nitrophenyl)prop-2-enoyl]propanehydrazide?
3-morpholin-4-yl-N'-[3-(3-nitrophenyl)prop-2-enoyl]propanehydrazide has a molecular weight of 348.36 g/mol, XLogP of 0.48, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-yl-N'-[3-(3-nitrophenyl)prop-2-enoyl]propanehydrazide is sourced from PubChem (CID 3887440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).