(Z)-N-formyl-N-(3-oxopropyl)but-2-enamide;N-methoxy-N-methyl-4-oxobutanamide

C14H22N2O6 — CID 170762642

IUPAC(Z)-N-formyl-N-(3-oxopropyl)but-2-enamide;N-methoxy-N-methyl-4-oxobutanamide
SMILESC/C=C\C(=O)N(C=O)CCC=O.CON(C)C(=O)CCC=O
InChIInChI=1S/C8H11NO3.C6H11NO3/c1-2-4-8(12)9(7-11)5-3-6-10;1-7(10-2)6(9)4-3-5-8/h2,4,6-7H,3,5H2,1H3;5H,3-4H2,1-2H3/b4-2-;
InChIKeyVZMCFCXCKWDHRV-MKHFZPSSSA-N
MW314.34 g/mol
LogP0.12
Rot. Bonds9

About (Z)-N-formyl-N-(3-oxopropyl)but-2-enamide;N-methoxy-N-methyl-4-oxobutanamide

(Z)-N-formyl-N-(3-oxopropyl)but-2-enamide;N-methoxy-N-methyl-4-oxobutanamide (PubChem CID 170762642) has the molecular formula C14H22N2O6 and a molecular weight of 314.34 g/mol. Its IUPAC name is (Z)-N-formyl-N-(3-oxopropyl)but-2-enamide;N-methoxy-N-methyl-4-oxobutanamide.

Molecular Properties

Compound Name(Z)-N-formyl-N-(3-oxopropyl)but-2-enamide;N-methoxy-N-methyl-4-oxobutanamide
PubChem CID170762642
Molecular FormulaC14H22N2O6
Molecular Weight314.34 g/mol
Exact Mass314.15
IUPAC Name(Z)-N-formyl-N-(3-oxopropyl)but-2-enamide;N-methoxy-N-methyl-4-oxobutanamide
SMILESC/C=C\C(=O)N(C=O)CCC=O.CON(C)C(=O)CCC=O
InChIInChI=1S/C8H11NO3.C6H11NO3/c1-2-4-8(12)9(7-11)5-3-6-10;1-7(10-2)6(9)4-3-5-8/h2,4,6-7H,3,5H2,1H3;5H,3-4H2,1-2H3/b4-2-;
InChIKeyVZMCFCXCKWDHRV-MKHFZPSSSA-N
XLogP0.12
TPSA101.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 50.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (Z)-N-formyl-N-(3-oxopropyl)but-2-enamide;N-methoxy-N-methyl-4-oxobutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-N-formyl-N-(3-oxopropyl)but-2-enamide;N-methoxy-N-methyl-4-oxobutanamide?
The IUPAC name of (Z)-N-formyl-N-(3-oxopropyl)but-2-enamide;N-methoxy-N-methyl-4-oxobutanamide (CID 170762642) is (Z)-N-formyl-N-(3-oxopropyl)but-2-enamide;N-methoxy-N-methyl-4-oxobutanamide.
What is the SMILES notation for (Z)-N-formyl-N-(3-oxopropyl)but-2-enamide;N-methoxy-N-methyl-4-oxobutanamide?
The canonical SMILES for (Z)-N-formyl-N-(3-oxopropyl)but-2-enamide;N-methoxy-N-methyl-4-oxobutanamide is C/C=C\C(=O)N(C=O)CCC=O.CON(C)C(=O)CCC=O.
What is the InChIKey of (Z)-N-formyl-N-(3-oxopropyl)but-2-enamide;N-methoxy-N-methyl-4-oxobutanamide?
The InChIKey is VZMCFCXCKWDHRV-MKHFZPSSSA-N. The full InChI is InChI=1S/C8H11NO3.C6H11NO3/c1-2-4-8(12)9(7-11)5-3-6-10;1-7(10-2)6(9)4-3-5-8/h2,4,6-7H,3,5H2,1H3;5H,3-4H2,1-2H3/b4-2-;.
What are the key properties of (Z)-N-formyl-N-(3-oxopropyl)but-2-enamide;N-methoxy-N-methyl-4-oxobutanamide?
(Z)-N-formyl-N-(3-oxopropyl)but-2-enamide;N-methoxy-N-methyl-4-oxobutanamide has a molecular weight of 314.34 g/mol, XLogP of 0.12, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-formyl-N-(3-oxopropyl)but-2-enamide;N-methoxy-N-methyl-4-oxobutanamide is sourced from PubChem (CID 170762642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).