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

C12H22N4O5 — CID 170922655

IUPACN-(2-methoxyethyl)-3-[2-[2-(2-methoxyethylamino)-2-oxoacetyl]hydrazinyl]but-2-enamide
SMILESCOCCNC(=O)C=C(C)NNC(=O)C(=O)NCCOC
InChIInChI=1S/C12H22N4O5/c1-9(8-10(17)13-4-6-20-2)15-16-12(19)11(18)14-5-7-21-3/h8,15H,4-7H2,1-3H3,(H,13,17)(H,14,18)(H,16,19)
InChIKeyKCUUXECVRGDDQK-UHFFFAOYSA-N
MW302.33 g/mol
LogP-1.96
Rot. Bonds9

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

N-(2-methoxyethyl)-3-[2-[2-(2-methoxyethylamino)-2-oxoacetyl]hydrazinyl]but-2-enamide (PubChem CID 170922655) has the molecular formula C12H22N4O5 and a molecular weight of 302.33 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-[2-[2-(2-methoxyethylamino)-2-oxoacetyl]hydrazinyl]but-2-enamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-[2-[2-(2-methoxyethylamino)-2-oxoacetyl]hydrazinyl]but-2-enamide
PubChem CID170922655
Molecular FormulaC12H22N4O5
Molecular Weight302.33 g/mol
Exact Mass302.16
IUPAC NameN-(2-methoxyethyl)-3-[2-[2-(2-methoxyethylamino)-2-oxoacetyl]hydrazinyl]but-2-enamide
SMILESCOCCNC(=O)C=C(C)NNC(=O)C(=O)NCCOC
InChIInChI=1S/C12H22N4O5/c1-9(8-10(17)13-4-6-20-2)15-16-12(19)11(18)14-5-7-21-3/h8,15H,4-7H2,1-3H3,(H,13,17)(H,14,18)(H,16,19)
InChIKeyKCUUXECVRGDDQK-UHFFFAOYSA-N
XLogP-1.96
TPSA117.79 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 5-1.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(2-methoxyethyl)-3-[2-[2-(2-methoxyethylamino)-2-oxoacetyl]hydrazinyl]but-2-enamide with MolForge

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Related Compounds

3-[2-(2-morpholin-4-yl-2-oxoacetyl)hydrazinyl]-N,N-di(propan-2-yl)but-2-enamide
CID 4226185
N-butan-2-yl-3-[2-(2-morpholin-4-yl-2-oxoacetyl)hydrazinyl]but-2-enamide
CID 4565778
N-ethyl-3-[2-[2-(2-methylpropylamino)-2-oxoacetyl]hydrazinyl]but-2-enamide
CID 5017552
2-methoxy-N-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]acetamide
CID 108461775
2-(2-methoxyethoxy)-N-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]acetamide
CID 108462246
N,N-bis(2-methoxyethyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide
CID 108466376
N-(2,2-dimethoxyethyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide
CID 108466381
1-(2-Methoxyethyl)-3-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]urea
CID 108489154
N-(2-methoxyethyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide
CID 112513811
N-(2-morpholin-4-ylethyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide
CID 112513814

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-[2-[2-(2-methoxyethylamino)-2-oxoacetyl]hydrazinyl]but-2-enamide?
The IUPAC name of N-(2-methoxyethyl)-3-[2-[2-(2-methoxyethylamino)-2-oxoacetyl]hydrazinyl]but-2-enamide (CID 170922655) is N-(2-methoxyethyl)-3-[2-[2-(2-methoxyethylamino)-2-oxoacetyl]hydrazinyl]but-2-enamide.
What is the SMILES notation for N-(2-methoxyethyl)-3-[2-[2-(2-methoxyethylamino)-2-oxoacetyl]hydrazinyl]but-2-enamide?
The canonical SMILES for N-(2-methoxyethyl)-3-[2-[2-(2-methoxyethylamino)-2-oxoacetyl]hydrazinyl]but-2-enamide is COCCNC(=O)C=C(C)NNC(=O)C(=O)NCCOC.
What is the InChIKey of N-(2-methoxyethyl)-3-[2-[2-(2-methoxyethylamino)-2-oxoacetyl]hydrazinyl]but-2-enamide?
The InChIKey is KCUUXECVRGDDQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O5/c1-9(8-10(17)13-4-6-20-2)15-16-12(19)11(18)14-5-7-21-3/h8,15H,4-7H2,1-3H3,(H,13,17)(H,14,18)(H,16,19).
What are the key properties of N-(2-methoxyethyl)-3-[2-[2-(2-methoxyethylamino)-2-oxoacetyl]hydrazinyl]but-2-enamide?
N-(2-methoxyethyl)-3-[2-[2-(2-methoxyethylamino)-2-oxoacetyl]hydrazinyl]but-2-enamide has a molecular weight of 302.33 g/mol, XLogP of -1.96, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-[2-[2-(2-methoxyethylamino)-2-oxoacetyl]hydrazinyl]but-2-enamide is sourced from PubChem (CID 170922655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).