N,N-bis(2-methoxyethyl)hex-5-enamide

C12H23NO3 — CID 172778489

IUPACN,N-bis(2-methoxyethyl)hex-5-enamide
SMILESC=CCCCC(=O)N(CCOC)CCOC
InChIInChI=1S/C12H23NO3/c1-4-5-6-7-12(14)13(8-10-15-2)9-11-16-3/h4H,1,5-11H2,2-3H3
InChIKeyNXUCXLGOHLTBTO-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.46
Rot. Bonds10

About N,N-bis(2-methoxyethyl)hex-5-enamide

N,N-bis(2-methoxyethyl)hex-5-enamide (PubChem CID 172778489) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is N,N-bis(2-methoxyethyl)hex-5-enamide.

Molecular Properties

Compound NameN,N-bis(2-methoxyethyl)hex-5-enamide
PubChem CID172778489
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC NameN,N-bis(2-methoxyethyl)hex-5-enamide
SMILESC=CCCCC(=O)N(CCOC)CCOC
InChIInChI=1S/C12H23NO3/c1-4-5-6-7-12(14)13(8-10-15-2)9-11-16-3/h4H,1,5-11H2,2-3H3
InChIKeyNXUCXLGOHLTBTO-UHFFFAOYSA-N
XLogP1.46
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

10-Undecenamide, N,N-bis(2-methoxyethyl)-
CID 294298
(4Z,7Z,10Z,13Z,16Z,19Z)-N-(2-methoxyethyl)-N-methyldocosa-4,7,10,13,16,19-hexaenamide
CID 155538848
5-Hexenamide, N,N-diethyl-
CID 12249872
1-Morpholin-4-ylhept-6-en-1-one
CID 19855845
(5Z,8Z,11Z,14Z,17Z)-1-morpholin-4-ylicosa-5,8,11,14,17-pentaen-1-one
CID 138969257
methyl N-(hex-5-enoyl)-N-methylglycinate
CID 168267359
1-Morpholin-4-ylhex-5-en-1-one
CID 19855834
1-Morpholin-4-yloct-7-en-1-one
CID 19855843
N-butyl-N-methylhex-5-enamide
CID 23466583
N,N-bis(2-hydroxyethyl)hex-5-enamide
CID 58150290
1-(2-Methoxyethyl)-5-prop-2-enylpyrrolidin-2-one
CID 58550039
N-(2-methoxyethyl)-N-methylbut-3-enamide
CID 59327283

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-methoxyethyl)hex-5-enamide?
The IUPAC name of N,N-bis(2-methoxyethyl)hex-5-enamide (CID 172778489) is N,N-bis(2-methoxyethyl)hex-5-enamide.
What is the SMILES notation for N,N-bis(2-methoxyethyl)hex-5-enamide?
The canonical SMILES for N,N-bis(2-methoxyethyl)hex-5-enamide is C=CCCCC(=O)N(CCOC)CCOC.
What is the InChIKey of N,N-bis(2-methoxyethyl)hex-5-enamide?
The InChIKey is NXUCXLGOHLTBTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-4-5-6-7-12(14)13(8-10-15-2)9-11-16-3/h4H,1,5-11H2,2-3H3.
What are the key properties of N,N-bis(2-methoxyethyl)hex-5-enamide?
N,N-bis(2-methoxyethyl)hex-5-enamide has a molecular weight of 229.32 g/mol, XLogP of 1.46, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-methoxyethyl)hex-5-enamide is sourced from PubChem (CID 172778489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).