3-[2-[2-(2-methoxyethylamino)-2-oxoacetyl]hydrazinyl]-N-(2-methylpropyl)but-3-enamide

C13H24N4O4 — CID 3379681

IUPAC3-[2-[2-(2-methoxyethylamino)-2-oxoacetyl]hydrazinyl]-N-(2-methylpropyl)but-3-enamide
SMILESC=C(CC(=O)NCC(C)C)NNC(=O)C(=O)NCCOC
InChIInChI=1S/C13H24N4O4/c1-9(2)8-15-11(18)7-10(3)16-17-13(20)12(19)14-5-6-21-4/h9,16H,3,5-8H2,1-2,4H3,(H,14,19)(H,15,18)(H,17,20)
InChIKeyPMAAYGLJKXPANJ-UHFFFAOYSA-N
MW300.36 g/mol
LogP-0.95
Rot. Bonds9

About 3-[2-[2-(2-methoxyethylamino)-2-oxoacetyl]hydrazinyl]-N-(2-methylpropyl)but-3-enamide

3-[2-[2-(2-methoxyethylamino)-2-oxoacetyl]hydrazinyl]-N-(2-methylpropyl)but-3-enamide (PubChem CID 3379681) has the molecular formula C13H24N4O4 and a molecular weight of 300.36 g/mol. Its IUPAC name is 3-[2-[2-(2-methoxyethylamino)-2-oxoacetyl]hydrazinyl]-N-(2-methylpropyl)but-3-enamide.

Molecular Properties

Compound Name3-[2-[2-(2-methoxyethylamino)-2-oxoacetyl]hydrazinyl]-N-(2-methylpropyl)but-3-enamide
PubChem CID3379681
Molecular FormulaC13H24N4O4
Molecular Weight300.36 g/mol
Exact Mass300.18
IUPAC Name3-[2-[2-(2-methoxyethylamino)-2-oxoacetyl]hydrazinyl]-N-(2-methylpropyl)but-3-enamide
SMILESC=C(CC(=O)NCC(C)C)NNC(=O)C(=O)NCCOC
InChIInChI=1S/C13H24N4O4/c1-9(2)8-15-11(18)7-10(3)16-17-13(20)12(19)14-5-6-21-4/h9,16H,3,5-8H2,1-2,4H3,(H,14,19)(H,15,18)(H,17,20)
InChIKeyPMAAYGLJKXPANJ-UHFFFAOYSA-N
XLogP-0.95
TPSA108.56 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 5-0.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethyl)-2-[[2-(2-methylpropylamino)-2-oxoethyl]amino]acetamide
CID 112683626
N-(2-methoxyethyl)-2-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 30960234
N-(2-methoxyethyl)-2-[[N'-methyl-N-(2-methylpropyl)carbamimidoyl]amino]acetamide;hydroiodide
CID 111180580
2-[[ethylamino-(2-methylpropylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide
CID 111180944
N-(2-methoxyethyl)-N',N'-bis(2-methylpropyl)oxamide
CID 108505035
1-N-[2-(2-methoxyethoxy)ethyl]-4-N-(2-methylpropyl)benzene-1,4-dicarboxamide;molecular hydrogen
CID 166130832
2-amino-N-(2-methoxyethyl)propanamide
CID 24703832
N-(2-methoxyethyl)-2-oxobutanamide
CID 141125375
N-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]-2-methyl-3-(methylamino)propanamide
CID 113407197
2-hydroxy-N-(2-methoxyethyl)acetamide
CID 19987818
2-[[2-[[6-[[2-(2-methoxyethylamino)-2-oxoacetyl]amino]-2,4,4-trimethylhexyl]amino]-2-oxoacetyl]amino]ethyl acetate
CID 118934885
N-(2-methoxyethyl)-3-(3-methylbutoxy)propanamide
CID 166039715

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(2-methoxyethylamino)-2-oxoacetyl]hydrazinyl]-N-(2-methylpropyl)but-3-enamide?
The IUPAC name of 3-[2-[2-(2-methoxyethylamino)-2-oxoacetyl]hydrazinyl]-N-(2-methylpropyl)but-3-enamide (CID 3379681) is 3-[2-[2-(2-methoxyethylamino)-2-oxoacetyl]hydrazinyl]-N-(2-methylpropyl)but-3-enamide.
What is the SMILES notation for 3-[2-[2-(2-methoxyethylamino)-2-oxoacetyl]hydrazinyl]-N-(2-methylpropyl)but-3-enamide?
The canonical SMILES for 3-[2-[2-(2-methoxyethylamino)-2-oxoacetyl]hydrazinyl]-N-(2-methylpropyl)but-3-enamide is C=C(CC(=O)NCC(C)C)NNC(=O)C(=O)NCCOC.
What is the InChIKey of 3-[2-[2-(2-methoxyethylamino)-2-oxoacetyl]hydrazinyl]-N-(2-methylpropyl)but-3-enamide?
The InChIKey is PMAAYGLJKXPANJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O4/c1-9(2)8-15-11(18)7-10(3)16-17-13(20)12(19)14-5-6-21-4/h9,16H,3,5-8H2,1-2,4H3,(H,14,19)(H,15,18)(H,17,20).
What are the key properties of 3-[2-[2-(2-methoxyethylamino)-2-oxoacetyl]hydrazinyl]-N-(2-methylpropyl)but-3-enamide?
3-[2-[2-(2-methoxyethylamino)-2-oxoacetyl]hydrazinyl]-N-(2-methylpropyl)but-3-enamide has a molecular weight of 300.36 g/mol, XLogP of -0.95, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(2-methoxyethylamino)-2-oxoacetyl]hydrazinyl]-N-(2-methylpropyl)but-3-enamide is sourced from PubChem (CID 3379681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).