2-[(E)-hex-2-en-3-yl]-N-methoxy-N-methylhex-5-enamide;propane

C17H33NO2 — CID 142240632

IUPAC2-[(E)-hex-2-en-3-yl]-N-methoxy-N-methylhex-5-enamide;propane
SMILESC=CCCC(C(=O)N(C)OC)/C(=C/C)CCC.CCC
InChIInChI=1S/C14H25NO2.C3H8/c1-6-9-11-13(12(8-3)10-7-2)14(16)15(4)17-5;1-3-2/h6,8,13H,1,7,9-11H2,2-5H3;3H2,1-2H3/b12-8+;
InChIKeyCHEYVKBMGOAHFF-MXZHIVQLSA-N
MW283.46 g/mol
LogP4.75
Rot. Bonds8

About 2-[(E)-hex-2-en-3-yl]-N-methoxy-N-methylhex-5-enamide;propane

2-[(E)-hex-2-en-3-yl]-N-methoxy-N-methylhex-5-enamide;propane (PubChem CID 142240632) has the molecular formula C17H33NO2 and a molecular weight of 283.46 g/mol. Its IUPAC name is 2-[(E)-hex-2-en-3-yl]-N-methoxy-N-methylhex-5-enamide;propane.

Molecular Properties

Compound Name2-[(E)-hex-2-en-3-yl]-N-methoxy-N-methylhex-5-enamide;propane
PubChem CID142240632
Molecular FormulaC17H33NO2
Molecular Weight283.46 g/mol
Exact Mass283.25
IUPAC Name2-[(E)-hex-2-en-3-yl]-N-methoxy-N-methylhex-5-enamide;propane
SMILESC=CCCC(C(=O)N(C)OC)/C(=C/C)CCC.CCC
InChIInChI=1S/C14H25NO2.C3H8/c1-6-9-11-13(12(8-3)10-7-2)14(16)15(4)17-5;1-3-2/h6,8,13H,1,7,9-11H2,2-5H3;3H2,1-2H3/b12-8+;
InChIKeyCHEYVKBMGOAHFF-MXZHIVQLSA-N
XLogP4.75
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-2-but-3-enyl-N-methoxy-N,3,7-trimethyloct-3-enamide
CID 142240628
N-methoxy-N,2-dimethyl-3-oxo-5-prop-2-enoxypentanamide
CID 166444620
N-methoxy-N,2-dimethyl-3-oxo-4-prop-2-enoxybutanamide
CID 166436887
ethyl 2-(1-hydroxyethyl)hex-5-enoate
CID 76532032
(2S,3S)-3-(hydroxymethyl)-N-methoxy-N,2-dimethylpent-4-enamide
CID 130367251
(2S,4S,5R,6R)-5-hydroxy-N-methoxy-N,2,4,6-tetramethyl-3-oxononanamide
CID 11097720
N-methoxy-N,2-dimethyl-7-oxoheptanamide
CID 139377372
methyl 2-but-3-enyl-3-oxohept-6-enoate
CID 11424355
(2S)-2-butoxy-N-methoxy-N-methylpropanamide
CID 172508606
6-methoxynon-1-en-5-one
CID 116708016
5-(aminomethyl)non-8-en-4-one
CID 134382036
3-hydroxy-N-methoxy-N,2-dimethylpentanamide
CID 85166766

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-hex-2-en-3-yl]-N-methoxy-N-methylhex-5-enamide;propane?
The IUPAC name of 2-[(E)-hex-2-en-3-yl]-N-methoxy-N-methylhex-5-enamide;propane (CID 142240632) is 2-[(E)-hex-2-en-3-yl]-N-methoxy-N-methylhex-5-enamide;propane.
What is the SMILES notation for 2-[(E)-hex-2-en-3-yl]-N-methoxy-N-methylhex-5-enamide;propane?
The canonical SMILES for 2-[(E)-hex-2-en-3-yl]-N-methoxy-N-methylhex-5-enamide;propane is C=CCCC(C(=O)N(C)OC)/C(=C/C)CCC.CCC.
What is the InChIKey of 2-[(E)-hex-2-en-3-yl]-N-methoxy-N-methylhex-5-enamide;propane?
The InChIKey is CHEYVKBMGOAHFF-MXZHIVQLSA-N. The full InChI is InChI=1S/C14H25NO2.C3H8/c1-6-9-11-13(12(8-3)10-7-2)14(16)15(4)17-5;1-3-2/h6,8,13H,1,7,9-11H2,2-5H3;3H2,1-2H3/b12-8+;.
What are the key properties of 2-[(E)-hex-2-en-3-yl]-N-methoxy-N-methylhex-5-enamide;propane?
2-[(E)-hex-2-en-3-yl]-N-methoxy-N-methylhex-5-enamide;propane has a molecular weight of 283.46 g/mol, XLogP of 4.75, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-hex-2-en-3-yl]-N-methoxy-N-methylhex-5-enamide;propane is sourced from PubChem (CID 142240632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).