[4-carbamoyl-6-(2-methylprop-2-enoyloxy)hex-3-enyl] 2-methylprop-2-enoate

C15H21NO5 — CID 173390708

IUPAC[4-carbamoyl-6-(2-methylprop-2-enoyloxy)hex-3-enyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC=C(CCOC(=O)C(=C)C)C(N)=O
InChIInChI=1S/C15H21NO5/c1-10(2)14(18)20-8-5-6-12(13(16)17)7-9-21-15(19)11(3)4/h6H,1,3,5,7-9H2,2,4H3,(H2,16,17)
InChIKeyOGUSDWVSTOXTCF-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.42
Rot. Bonds9

About [4-carbamoyl-6-(2-methylprop-2-enoyloxy)hex-3-enyl] 2-methylprop-2-enoate

[4-carbamoyl-6-(2-methylprop-2-enoyloxy)hex-3-enyl] 2-methylprop-2-enoate (PubChem CID 173390708) has the molecular formula C15H21NO5 and a molecular weight of 295.34 g/mol. Its IUPAC name is [4-carbamoyl-6-(2-methylprop-2-enoyloxy)hex-3-enyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[4-carbamoyl-6-(2-methylprop-2-enoyloxy)hex-3-enyl] 2-methylprop-2-enoate
PubChem CID173390708
Molecular FormulaC15H21NO5
Molecular Weight295.34 g/mol
Exact Mass295.14
IUPAC Name[4-carbamoyl-6-(2-methylprop-2-enoyloxy)hex-3-enyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC=C(CCOC(=O)C(=C)C)C(N)=O
InChIInChI=1S/C15H21NO5/c1-10(2)14(18)20-8-5-6-12(13(16)17)7-9-21-15(19)11(3)4/h6H,1,3,5,7-9H2,2,4H3,(H2,16,17)
InChIKeyOGUSDWVSTOXTCF-UHFFFAOYSA-N
XLogP1.42
TPSA95.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze [4-carbamoyl-6-(2-methylprop-2-enoyloxy)hex-3-enyl] 2-methylprop-2-enoate 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 [4-carbamoyl-6-(2-methylprop-2-enoyloxy)hex-3-enyl] 2-methylprop-2-enoate?
The IUPAC name of [4-carbamoyl-6-(2-methylprop-2-enoyloxy)hex-3-enyl] 2-methylprop-2-enoate (CID 173390708) is [4-carbamoyl-6-(2-methylprop-2-enoyloxy)hex-3-enyl] 2-methylprop-2-enoate.
What is the SMILES notation for [4-carbamoyl-6-(2-methylprop-2-enoyloxy)hex-3-enyl] 2-methylprop-2-enoate?
The canonical SMILES for [4-carbamoyl-6-(2-methylprop-2-enoyloxy)hex-3-enyl] 2-methylprop-2-enoate is C=C(C)C(=O)OCCC=C(CCOC(=O)C(=C)C)C(N)=O.
What is the InChIKey of [4-carbamoyl-6-(2-methylprop-2-enoyloxy)hex-3-enyl] 2-methylprop-2-enoate?
The InChIKey is OGUSDWVSTOXTCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO5/c1-10(2)14(18)20-8-5-6-12(13(16)17)7-9-21-15(19)11(3)4/h6H,1,3,5,7-9H2,2,4H3,(H2,16,17).
What are the key properties of [4-carbamoyl-6-(2-methylprop-2-enoyloxy)hex-3-enyl] 2-methylprop-2-enoate?
[4-carbamoyl-6-(2-methylprop-2-enoyloxy)hex-3-enyl] 2-methylprop-2-enoate has a molecular weight of 295.34 g/mol, XLogP of 1.42, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-carbamoyl-6-(2-methylprop-2-enoyloxy)hex-3-enyl] 2-methylprop-2-enoate is sourced from PubChem (CID 173390708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).