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

C19H35NO6 — CID 167420658

IUPAC(E)-5-methyl-N-[2-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]ethyl]-4-oxohex-2-enamide
SMILESCC(C)COCCOCCOCCOCCNC(=O)/C=C/C(=O)C(C)C
InChIInChI=1S/C19H35NO6/c1-16(2)15-26-14-13-25-12-11-24-10-9-23-8-7-20-19(22)6-5-18(21)17(3)4/h5-6,16-17H,7-15H2,1-4H3,(H,20,22)/b6-5+
InChIKeyNIMDCKCURXMHBS-AATRIKPKSA-N
MW373.49 g/mol
LogP1.61
Rot. Bonds17

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

(E)-5-methyl-N-[2-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]ethyl]-4-oxohex-2-enamide (PubChem CID 167420658) has the molecular formula C19H35NO6 and a molecular weight of 373.49 g/mol. Its IUPAC name is (E)-5-methyl-N-[2-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]ethyl]-4-oxohex-2-enamide.

Molecular Properties

Compound Name(E)-5-methyl-N-[2-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]ethyl]-4-oxohex-2-enamide
PubChem CID167420658
Molecular FormulaC19H35NO6
Molecular Weight373.49 g/mol
Exact Mass373.25
IUPAC Name(E)-5-methyl-N-[2-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]ethyl]-4-oxohex-2-enamide
SMILESCC(C)COCCOCCOCCOCCNC(=O)/C=C/C(=O)C(C)C
InChIInChI=1S/C19H35NO6/c1-16(2)15-26-14-13-25-12-11-24-10-9-23-8-7-20-19(22)6-5-18(21)17(3)4/h5-6,16-17H,7-15H2,1-4H3,(H,20,22)/b6-5+
InChIKeyNIMDCKCURXMHBS-AATRIKPKSA-N
XLogP1.61
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.49
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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
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)-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
N-(2-methoxyethyl)-4-[methyl(propyl)stibanyl]butanamide;(Z)-6-methyloct-3-ene-2,5-dione
CID 145018895
(E)-N-[2-[2-(2,2-dimethylbutoxy)ethoxy]ethyl]-4-methylpent-2-enamide
CID 146384542
1,2-dimethoxyethane;(E)-6-(dimethylamino)-2-methylhex-4-en-3-one;(E)-4-(dimethylamino)-N-propan-2-ylbut-2-enamide;N-propan-2-ylprop-2-enamide
CID 158620662
(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-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]ethyl]-4-oxohex-2-enamide?
The IUPAC name of (E)-5-methyl-N-[2-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]ethyl]-4-oxohex-2-enamide (CID 167420658) is (E)-5-methyl-N-[2-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]ethyl]-4-oxohex-2-enamide.
What is the SMILES notation for (E)-5-methyl-N-[2-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]ethyl]-4-oxohex-2-enamide?
The canonical SMILES for (E)-5-methyl-N-[2-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]ethyl]-4-oxohex-2-enamide is CC(C)COCCOCCOCCOCCNC(=O)/C=C/C(=O)C(C)C.
What is the InChIKey of (E)-5-methyl-N-[2-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]ethyl]-4-oxohex-2-enamide?
The InChIKey is NIMDCKCURXMHBS-AATRIKPKSA-N. The full InChI is InChI=1S/C19H35NO6/c1-16(2)15-26-14-13-25-12-11-24-10-9-23-8-7-20-19(22)6-5-18(21)17(3)4/h5-6,16-17H,7-15H2,1-4H3,(H,20,22)/b6-5+.
What are the key properties of (E)-5-methyl-N-[2-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]ethyl]-4-oxohex-2-enamide?
(E)-5-methyl-N-[2-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]ethyl]-4-oxohex-2-enamide has a molecular weight of 373.49 g/mol, XLogP of 1.61, 17 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-methyl-N-[2-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]ethyl]-4-oxohex-2-enamide is sourced from PubChem (CID 167420658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).