(Z)-5-methyl-N-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethyl]-4-oxohex-2-enamide

C17H31NO5 — CID 167420693

IUPAC(Z)-5-methyl-N-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethyl]-4-oxohex-2-enamide
SMILESCC(C)COCCOCCOCCNC(=O)/C=C\C(=O)C(C)C
InChIInChI=1S/C17H31NO5/c1-14(2)13-23-12-11-22-10-9-21-8-7-18-17(20)6-5-16(19)15(3)4/h5-6,14-15H,7-13H2,1-4H3,(H,18,20)/b6-5-
InChIKeyCCBPZMSBHNVYBW-WAYWQWQTSA-N
MW329.44 g/mol
LogP1.59
Rot. Bonds14

About (Z)-5-methyl-N-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethyl]-4-oxohex-2-enamide

(Z)-5-methyl-N-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethyl]-4-oxohex-2-enamide (PubChem CID 167420693) has the molecular formula C17H31NO5 and a molecular weight of 329.44 g/mol. Its IUPAC name is (Z)-5-methyl-N-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethyl]-4-oxohex-2-enamide.

Molecular Properties

Compound Name(Z)-5-methyl-N-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethyl]-4-oxohex-2-enamide
PubChem CID167420693
Molecular FormulaC17H31NO5
Molecular Weight329.44 g/mol
Exact Mass329.22
IUPAC Name(Z)-5-methyl-N-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethyl]-4-oxohex-2-enamide
SMILESCC(C)COCCOCCOCCNC(=O)/C=C\C(=O)C(C)C
InChIInChI=1S/C17H31NO5/c1-14(2)13-23-12-11-22-10-9-21-8-7-18-17(20)6-5-16(19)15(3)4/h5-6,14-15H,7-13H2,1-4H3,(H,18,20)/b6-5-
InChIKeyCCBPZMSBHNVYBW-WAYWQWQTSA-N
XLogP1.59
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 51.59
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'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-5-methyl-N-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethyl]-4-oxohex-2-enamide?
The IUPAC name of (Z)-5-methyl-N-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethyl]-4-oxohex-2-enamide (CID 167420693) is (Z)-5-methyl-N-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethyl]-4-oxohex-2-enamide.
What is the SMILES notation for (Z)-5-methyl-N-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethyl]-4-oxohex-2-enamide?
The canonical SMILES for (Z)-5-methyl-N-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethyl]-4-oxohex-2-enamide is CC(C)COCCOCCOCCNC(=O)/C=C\C(=O)C(C)C.
What is the InChIKey of (Z)-5-methyl-N-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethyl]-4-oxohex-2-enamide?
The InChIKey is CCBPZMSBHNVYBW-WAYWQWQTSA-N. The full InChI is InChI=1S/C17H31NO5/c1-14(2)13-23-12-11-22-10-9-21-8-7-18-17(20)6-5-16(19)15(3)4/h5-6,14-15H,7-13H2,1-4H3,(H,18,20)/b6-5-.
What are the key properties of (Z)-5-methyl-N-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethyl]-4-oxohex-2-enamide?
(Z)-5-methyl-N-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethyl]-4-oxohex-2-enamide has a molecular weight of 329.44 g/mol, XLogP of 1.59, 14 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-methyl-N-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethyl]-4-oxohex-2-enamide is sourced from PubChem (CID 167420693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).