N-butan-2-yl-3-[2-(2-morpholin-4-yl-2-oxoacetyl)hydrazinyl]but-2-enamide

C14H24N4O4 — CID 4565778

IUPACN-butan-2-yl-3-[2-(2-morpholin-4-yl-2-oxoacetyl)hydrazinyl]but-2-enamide
SMILESCCC(C)NC(=O)C=C(C)NNC(=O)C(=O)N1CCOCC1
InChIInChI=1S/C14H24N4O4/c1-4-10(2)15-12(19)9-11(3)16-17-13(20)14(21)18-5-7-22-8-6-18/h9-10,16H,4-8H2,1-3H3,(H,15,19)(H,17,20)
InChIKeyLKZRGSJSTTTZFL-UHFFFAOYSA-N
MW312.37 g/mol
LogP-0.72
Rot. Bonds5

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

N-butan-2-yl-3-[2-(2-morpholin-4-yl-2-oxoacetyl)hydrazinyl]but-2-enamide (PubChem CID 4565778) has the molecular formula C14H24N4O4 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-butan-2-yl-3-[2-(2-morpholin-4-yl-2-oxoacetyl)hydrazinyl]but-2-enamide.

Molecular Properties

Compound NameN-butan-2-yl-3-[2-(2-morpholin-4-yl-2-oxoacetyl)hydrazinyl]but-2-enamide
PubChem CID4565778
Molecular FormulaC14H24N4O4
Molecular Weight312.37 g/mol
Exact Mass312.18
IUPAC NameN-butan-2-yl-3-[2-(2-morpholin-4-yl-2-oxoacetyl)hydrazinyl]but-2-enamide
SMILESCCC(C)NC(=O)C=C(C)NNC(=O)C(=O)N1CCOCC1
InChIInChI=1S/C14H24N4O4/c1-4-10(2)15-12(19)9-11(3)16-17-13(20)14(21)18-5-7-22-8-6-18/h9-10,16H,4-8H2,1-3H3,(H,15,19)(H,17,20)
InChIKeyLKZRGSJSTTTZFL-UHFFFAOYSA-N
XLogP-0.72
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 5-0.72
H-Bond Donors ≤ 53
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-[(2R*,6S*)-2,6-dimethylmorpholin-4-yl]-N-[2-(3,6-dioxo-3,6-dihydropyridazin-1(2H)-yl)ethyl]propanamide
CID 56876224
2-methyl-3-(morpholine-4-carbonyl)-1H-pyrazol-5-one
CID 118690658
3-[2-(2-morpholin-4-yl-2-oxoacetyl)hydrazinyl]-N,N-di(propan-2-yl)but-2-enamide
CID 4226185
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(1-morpholin-4-ylpropan-2-yl)acetamide
CID 71941541
(2S)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[2-(3,6-dioxo-1H-pyridazin-2-yl)ethyl]propanamide
CID 95555879
(2R)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[2-(3,6-dioxo-1H-pyridazin-2-yl)ethyl]propanamide
CID 95555880
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(2S)-1-morpholin-4-ylpropan-2-yl]acetamide
CID 96154790
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(2R)-1-morpholin-4-ylpropan-2-yl]acetamide
CID 96154791
5-methyl-2-(2-morpholin-4-ylethyl)-1H-pyrazol-3-one
CID 102406423
N-(2-morpholin-4-ylethyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide
CID 112513814
3-morpholin-4-yl-N-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]propanamide
CID 112536424
4-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]-1H-pyridazin-6-one
CID 114392406

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-[2-(2-morpholin-4-yl-2-oxoacetyl)hydrazinyl]but-2-enamide?
The IUPAC name of N-butan-2-yl-3-[2-(2-morpholin-4-yl-2-oxoacetyl)hydrazinyl]but-2-enamide (CID 4565778) is N-butan-2-yl-3-[2-(2-morpholin-4-yl-2-oxoacetyl)hydrazinyl]but-2-enamide.
What is the SMILES notation for N-butan-2-yl-3-[2-(2-morpholin-4-yl-2-oxoacetyl)hydrazinyl]but-2-enamide?
The canonical SMILES for N-butan-2-yl-3-[2-(2-morpholin-4-yl-2-oxoacetyl)hydrazinyl]but-2-enamide is CCC(C)NC(=O)C=C(C)NNC(=O)C(=O)N1CCOCC1.
What is the InChIKey of N-butan-2-yl-3-[2-(2-morpholin-4-yl-2-oxoacetyl)hydrazinyl]but-2-enamide?
The InChIKey is LKZRGSJSTTTZFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O4/c1-4-10(2)15-12(19)9-11(3)16-17-13(20)14(21)18-5-7-22-8-6-18/h9-10,16H,4-8H2,1-3H3,(H,15,19)(H,17,20).
What are the key properties of N-butan-2-yl-3-[2-(2-morpholin-4-yl-2-oxoacetyl)hydrazinyl]but-2-enamide?
N-butan-2-yl-3-[2-(2-morpholin-4-yl-2-oxoacetyl)hydrazinyl]but-2-enamide has a molecular weight of 312.37 g/mol, XLogP of -0.72, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-[2-(2-morpholin-4-yl-2-oxoacetyl)hydrazinyl]but-2-enamide is sourced from PubChem (CID 4565778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).