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

C17H31NO5 — CID 167420677

IUPAC(E)-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-AATRIKPKSA-N
MW329.44 g/mol
LogP1.59
Rot. Bonds14

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

(E)-5-methyl-N-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethyl]-4-oxohex-2-enamide (PubChem CID 167420677) has the molecular formula C17H31NO5 and a molecular weight of 329.44 g/mol. Its IUPAC name is (E)-5-methyl-N-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethyl]-4-oxohex-2-enamide.

Molecular Properties

Compound Name(E)-5-methyl-N-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethyl]-4-oxohex-2-enamide
PubChem CID167420677
Molecular FormulaC17H31NO5
Molecular Weight329.44 g/mol
Exact Mass329.22
IUPAC Name(E)-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-AATRIKPKSA-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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Related Compounds

(E)-N-[2-[2-[(Z)-2-oxohept-4-enoxy]ethoxy]ethyl]but-2-enamide
CID 58348969
4-methyl-N-[2-(3-methylpentan-3-yloxy)ethyl]hex-2-enamide
CID 123371623
carbon dioxide;(E)-N-[2-[2-[(Z)-2-oxohept-4-enoxy]ethoxy]ethyl]but-2-enamide
CID 123786050
(E)-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-4-oxopent-2-enamide
CID 129085037
(E)-6-(2-methoxyethylamino)-2-methylhex-4-en-3-one
CID 135175938
(E)-4-methyl-N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]pent-2-enamide
CID 138726684
(E)-4-methyl-N-[2-[2-[2-(2-oxobutoxy)ethoxy]ethoxy]ethyl]pent-2-enamide
CID 138726688
(E)-N-[2-[2-(2,2-dimethylbutoxy)ethoxy]ethyl]-4-methylpent-2-enamide
CID 146384542
(E)-N-(2-ethoxyethyl)-4-oxohept-2-enamide
CID 166975191
(E)-N-(2-ethoxyethyl)-5-methyl-4-oxohex-2-enamide
CID 166975343
(Z)-N-(2-butoxyethyl)-5-methyl-4-oxohex-2-enamide
CID 167221926
(E)-5-methyl-4-oxo-N-(2-propan-2-yloxyethyl)hex-2-enamide
CID 167408477

Frequently Asked Questions

What is the IUPAC name of (E)-5-methyl-N-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethyl]-4-oxohex-2-enamide?
The IUPAC name of (E)-5-methyl-N-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethyl]-4-oxohex-2-enamide (CID 167420677) is (E)-5-methyl-N-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethyl]-4-oxohex-2-enamide.
What is the SMILES notation for (E)-5-methyl-N-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethyl]-4-oxohex-2-enamide?
The canonical SMILES for (E)-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 (E)-5-methyl-N-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethyl]-4-oxohex-2-enamide?
The InChIKey is CCBPZMSBHNVYBW-AATRIKPKSA-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 (E)-5-methyl-N-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethyl]-4-oxohex-2-enamide?
(E)-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 (E)-5-methyl-N-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethyl]-4-oxohex-2-enamide is sourced from PubChem (CID 167420677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).