3-morpholin-4-yl-N'-(3-phenylprop-2-enoyl)propanehydrazide;hydrochloride

C16H22ClN3O3 — CID 73242622

IUPAC3-morpholin-4-yl-N'-(3-phenylprop-2-enoyl)propanehydrazide;hydrochloride
SMILESCl.O=C(C=Cc1ccccc1)NNC(=O)CCN1CCOCC1
InChIInChI=1S/C16H21N3O3.ClH/c20-15(7-6-14-4-2-1-3-5-14)17-18-16(21)8-9-19-10-12-22-13-11-19;/h1-7H,8-13H2,(H,17,20)(H,18,21);1H
InChIKeyLPQGNAQPQAMLFR-UHFFFAOYSA-N
MW339.82 g/mol
LogP0.99
Rot. Bonds5

About 3-morpholin-4-yl-N'-(3-phenylprop-2-enoyl)propanehydrazide;hydrochloride

3-morpholin-4-yl-N'-(3-phenylprop-2-enoyl)propanehydrazide;hydrochloride (PubChem CID 73242622) has the molecular formula C16H22ClN3O3 and a molecular weight of 339.82 g/mol. Its IUPAC name is 3-morpholin-4-yl-N'-(3-phenylprop-2-enoyl)propanehydrazide;hydrochloride.

Molecular Properties

Compound Name3-morpholin-4-yl-N'-(3-phenylprop-2-enoyl)propanehydrazide;hydrochloride
PubChem CID73242622
Molecular FormulaC16H22ClN3O3
Molecular Weight339.82 g/mol
Exact Mass339.13
IUPAC Name3-morpholin-4-yl-N'-(3-phenylprop-2-enoyl)propanehydrazide;hydrochloride
SMILESCl.O=C(C=Cc1ccccc1)NNC(=O)CCN1CCOCC1
InChIInChI=1S/C16H21N3O3.ClH/c20-15(7-6-14-4-2-1-3-5-14)17-18-16(21)8-9-19-10-12-22-13-11-19;/h1-7H,8-13H2,(H,17,20)(H,18,21);1H
InChIKeyLPQGNAQPQAMLFR-UHFFFAOYSA-N
XLogP0.99
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.82
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

3-morpholin-4-yl-N'-[3-(3-nitrophenyl)prop-2-enoyl]propanehydrazide
CID 3887440
(E)-N-(3-morpholin-4-ylpropyl)-3-phenylprop-2-enamide
CID 2319063
1-(4-hydroxyphenyl)-5-morpholin-4-ylpent-1-en-3-one;hydrochloride
CID 70534836
(E)-5-[4-[(E)-3-oxo-5-phenylpent-4-enyl]piperazin-1-yl]-1-phenylpent-1-en-3-one;hydrochloride
CID 6518597
(E)-1-(4-hydroxyphenyl)-5-morpholin-4-ylpent-1-en-3-one
CID 12842145
(E)-N-[4-(morpholin-4-ylmethyl)phenyl]-3-phenylprop-2-enamide
CID 950916
(E)-N-hydroxy-3-[3-(2-morpholin-4-ylethoxyiminomethyl)phenyl]prop-2-enamide;hydrochloride
CID 86761195
N-(3-morpholin-4-ylpropyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
CID 51162206
N-[5-(2-morpholin-4-ylethylamino)-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide
CID 509910
2-cyano-N'-(3-phenylprop-2-enoyl)acetohydrazide
CID 582984
N'-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]-3-(4-phenylpiperazin-1-yl)propanehydrazide
CID 7551049
(E)-N-hydroxy-3-[3-[(E)-2-morpholin-4-ylethoxyiminomethyl]phenyl]prop-2-enamide
CID 44592024

Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-yl-N'-(3-phenylprop-2-enoyl)propanehydrazide;hydrochloride?
The IUPAC name of 3-morpholin-4-yl-N'-(3-phenylprop-2-enoyl)propanehydrazide;hydrochloride (CID 73242622) is 3-morpholin-4-yl-N'-(3-phenylprop-2-enoyl)propanehydrazide;hydrochloride.
What is the SMILES notation for 3-morpholin-4-yl-N'-(3-phenylprop-2-enoyl)propanehydrazide;hydrochloride?
The canonical SMILES for 3-morpholin-4-yl-N'-(3-phenylprop-2-enoyl)propanehydrazide;hydrochloride is Cl.O=C(C=Cc1ccccc1)NNC(=O)CCN1CCOCC1.
What is the InChIKey of 3-morpholin-4-yl-N'-(3-phenylprop-2-enoyl)propanehydrazide;hydrochloride?
The InChIKey is LPQGNAQPQAMLFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3.ClH/c20-15(7-6-14-4-2-1-3-5-14)17-18-16(21)8-9-19-10-12-22-13-11-19;/h1-7H,8-13H2,(H,17,20)(H,18,21);1H.
What are the key properties of 3-morpholin-4-yl-N'-(3-phenylprop-2-enoyl)propanehydrazide;hydrochloride?
3-morpholin-4-yl-N'-(3-phenylprop-2-enoyl)propanehydrazide;hydrochloride has a molecular weight of 339.82 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-yl-N'-(3-phenylprop-2-enoyl)propanehydrazide;hydrochloride is sourced from PubChem (CID 73242622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).