3-[2-(2-morpholin-4-yl-2-oxoacetyl)hydrazinyl]-N,N-di(propan-2-yl)but-2-enamide

C16H28N4O4 — CID 4226185

IUPAC3-[2-(2-morpholin-4-yl-2-oxoacetyl)hydrazinyl]-N,N-di(propan-2-yl)but-2-enamide
SMILESCC(=CC(=O)N(C(C)C)C(C)C)NNC(=O)C(=O)N1CCOCC1
InChIInChI=1S/C16H28N4O4/c1-11(2)20(12(3)4)14(21)10-13(5)17-18-15(22)16(23)19-6-8-24-9-7-19/h10-12,17H,6-9H2,1-5H3,(H,18,22)
InChIKeyIRDJRXVNDDABFQ-UHFFFAOYSA-N
MW340.42 g/mol
LogP0.02
Rot. Bonds5

About 3-[2-(2-morpholin-4-yl-2-oxoacetyl)hydrazinyl]-N,N-di(propan-2-yl)but-2-enamide

3-[2-(2-morpholin-4-yl-2-oxoacetyl)hydrazinyl]-N,N-di(propan-2-yl)but-2-enamide (PubChem CID 4226185) has the molecular formula C16H28N4O4 and a molecular weight of 340.42 g/mol. Its IUPAC name is 3-[2-(2-morpholin-4-yl-2-oxoacetyl)hydrazinyl]-N,N-di(propan-2-yl)but-2-enamide.

Molecular Properties

Compound Name3-[2-(2-morpholin-4-yl-2-oxoacetyl)hydrazinyl]-N,N-di(propan-2-yl)but-2-enamide
PubChem CID4226185
Molecular FormulaC16H28N4O4
Molecular Weight340.42 g/mol
Exact Mass340.21
IUPAC Name3-[2-(2-morpholin-4-yl-2-oxoacetyl)hydrazinyl]-N,N-di(propan-2-yl)but-2-enamide
SMILESCC(=CC(=O)N(C(C)C)C(C)C)NNC(=O)C(=O)N1CCOCC1
InChIInChI=1S/C16H28N4O4/c1-11(2)20(12(3)4)14(21)10-13(5)17-18-15(22)16(23)19-6-8-24-9-7-19/h10-12,17H,6-9H2,1-5H3,(H,18,22)
InChIKeyIRDJRXVNDDABFQ-UHFFFAOYSA-N
XLogP0.02
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', '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

2-methyl-5-(morpholine-4-carbonyl)-1H-pyrazol-3-one
CID 22118185
5-(Morpholine-4-carbonyl)-1,2-dihydropyrazol-3-one
CID 57712978
2-methyl-3-(morpholine-4-carbonyl)-1H-pyrazol-5-one
CID 118690658
1,2-Dihydro-4-(4-morpholinyl)-3,6-pyridazinedione
CID 154141975
N-butan-2-yl-3-[2-(2-morpholin-4-yl-2-oxoacetyl)hydrazinyl]but-2-enamide
CID 4565778
5-methyl-2-(2-morpholin-4-ylethyl)-1H-pyrazol-3-one
CID 102406423
N,N-bis(2-methoxyethyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide
CID 108466376
N-(2-morpholin-4-ylethyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide
CID 112513814
2-(4-Morpholin-4-yl-6-oxopyridazin-1-yl)propanehydrazide
CID 114398389
1-Butyl-1,2-dihydro-5-(4-morpholinyl)-3,6-pyridazinedione
CID 165354298
N-(2-methoxyethyl)-3-[2-[2-(2-methoxyethylamino)-2-oxoacetyl]hydrazinyl]but-2-enamide
CID 170922655

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-morpholin-4-yl-2-oxoacetyl)hydrazinyl]-N,N-di(propan-2-yl)but-2-enamide?
The IUPAC name of 3-[2-(2-morpholin-4-yl-2-oxoacetyl)hydrazinyl]-N,N-di(propan-2-yl)but-2-enamide (CID 4226185) is 3-[2-(2-morpholin-4-yl-2-oxoacetyl)hydrazinyl]-N,N-di(propan-2-yl)but-2-enamide.
What is the SMILES notation for 3-[2-(2-morpholin-4-yl-2-oxoacetyl)hydrazinyl]-N,N-di(propan-2-yl)but-2-enamide?
The canonical SMILES for 3-[2-(2-morpholin-4-yl-2-oxoacetyl)hydrazinyl]-N,N-di(propan-2-yl)but-2-enamide is CC(=CC(=O)N(C(C)C)C(C)C)NNC(=O)C(=O)N1CCOCC1.
What is the InChIKey of 3-[2-(2-morpholin-4-yl-2-oxoacetyl)hydrazinyl]-N,N-di(propan-2-yl)but-2-enamide?
The InChIKey is IRDJRXVNDDABFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O4/c1-11(2)20(12(3)4)14(21)10-13(5)17-18-15(22)16(23)19-6-8-24-9-7-19/h10-12,17H,6-9H2,1-5H3,(H,18,22).
What are the key properties of 3-[2-(2-morpholin-4-yl-2-oxoacetyl)hydrazinyl]-N,N-di(propan-2-yl)but-2-enamide?
3-[2-(2-morpholin-4-yl-2-oxoacetyl)hydrazinyl]-N,N-di(propan-2-yl)but-2-enamide has a molecular weight of 340.42 g/mol, XLogP of 0.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-morpholin-4-yl-2-oxoacetyl)hydrazinyl]-N,N-di(propan-2-yl)but-2-enamide is sourced from PubChem (CID 4226185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).