(Z)-5-methyl-4-oxo-N-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethyl]hex-2-enamide

C16H29NO5 — CID 167420702

IUPAC(Z)-5-methyl-4-oxo-N-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethyl]hex-2-enamide
SMILESCC(C)OCCOCCOCCNC(=O)/C=C\C(=O)C(C)C
InChIInChI=1S/C16H29NO5/c1-13(2)15(18)5-6-16(19)17-7-8-20-9-10-21-11-12-22-14(3)4/h5-6,13-14H,7-12H2,1-4H3,(H,17,19)/b6-5-
InChIKeyVCCOAWKULHWRNX-WAYWQWQTSA-N
MW315.41 g/mol
LogP1.34
Rot. Bonds13

About (Z)-5-methyl-4-oxo-N-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethyl]hex-2-enamide

(Z)-5-methyl-4-oxo-N-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethyl]hex-2-enamide (PubChem CID 167420702) has the molecular formula C16H29NO5 and a molecular weight of 315.41 g/mol. Its IUPAC name is (Z)-5-methyl-4-oxo-N-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethyl]hex-2-enamide.

Molecular Properties

Compound Name(Z)-5-methyl-4-oxo-N-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethyl]hex-2-enamide
PubChem CID167420702
Molecular FormulaC16H29NO5
Molecular Weight315.41 g/mol
Exact Mass315.20
IUPAC Name(Z)-5-methyl-4-oxo-N-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethyl]hex-2-enamide
SMILESCC(C)OCCOCCOCCNC(=O)/C=C\C(=O)C(C)C
InChIInChI=1S/C16H29NO5/c1-13(2)15(18)5-6-16(19)17-7-8-20-9-10-21-11-12-22-14(3)4/h5-6,13-14H,7-12H2,1-4H3,(H,17,19)/b6-5-
InChIKeyVCCOAWKULHWRNX-WAYWQWQTSA-N
XLogP1.34
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 51.34
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 (Z)-5-methyl-4-oxo-N-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethyl]hex-2-enamide 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)-5-methyl-4-oxo-N-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethyl]hex-2-enamide?
The IUPAC name of (Z)-5-methyl-4-oxo-N-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethyl]hex-2-enamide (CID 167420702) is (Z)-5-methyl-4-oxo-N-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethyl]hex-2-enamide.
What is the SMILES notation for (Z)-5-methyl-4-oxo-N-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethyl]hex-2-enamide?
The canonical SMILES for (Z)-5-methyl-4-oxo-N-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethyl]hex-2-enamide is CC(C)OCCOCCOCCNC(=O)/C=C\C(=O)C(C)C.
What is the InChIKey of (Z)-5-methyl-4-oxo-N-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethyl]hex-2-enamide?
The InChIKey is VCCOAWKULHWRNX-WAYWQWQTSA-N. The full InChI is InChI=1S/C16H29NO5/c1-13(2)15(18)5-6-16(19)17-7-8-20-9-10-21-11-12-22-14(3)4/h5-6,13-14H,7-12H2,1-4H3,(H,17,19)/b6-5-.
What are the key properties of (Z)-5-methyl-4-oxo-N-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethyl]hex-2-enamide?
(Z)-5-methyl-4-oxo-N-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethyl]hex-2-enamide has a molecular weight of 315.41 g/mol, XLogP of 1.34, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-methyl-4-oxo-N-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethyl]hex-2-enamide is sourced from PubChem (CID 167420702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).