(E,3S)-N,N-bis(2-methoxyethyl)-2,3-dimethylhex-4-enamide

C14H27NO3 — CID 141256335

IUPAC(E,3S)-N,N-bis(2-methoxyethyl)-2,3-dimethylhex-4-enamide
SMILESC/C=C/[C@H](C)C(C)C(=O)N(CCOC)CCOC
InChIInChI=1S/C14H27NO3/c1-6-7-12(2)13(3)14(16)15(8-10-17-4)9-11-18-5/h6-7,12-13H,8-11H2,1-5H3/b7-6+/t12-,13?/m0/s1
InChIKeyLVXRMHRXINLPIU-LOJZCDLVSA-N
MW257.37 g/mol
LogP1.96
Rot. Bonds9

About (E,3S)-N,N-bis(2-methoxyethyl)-2,3-dimethylhex-4-enamide

(E,3S)-N,N-bis(2-methoxyethyl)-2,3-dimethylhex-4-enamide (PubChem CID 141256335) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is (E,3S)-N,N-bis(2-methoxyethyl)-2,3-dimethylhex-4-enamide.

Molecular Properties

Compound Name(E,3S)-N,N-bis(2-methoxyethyl)-2,3-dimethylhex-4-enamide
PubChem CID141256335
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Name(E,3S)-N,N-bis(2-methoxyethyl)-2,3-dimethylhex-4-enamide
SMILESC/C=C/[C@H](C)C(C)C(=O)N(CCOC)CCOC
InChIInChI=1S/C14H27NO3/c1-6-7-12(2)13(3)14(16)15(8-10-17-4)9-11-18-5/h6-7,12-13H,8-11H2,1-5H3/b7-6+/t12-,13?/m0/s1
InChIKeyLVXRMHRXINLPIU-LOJZCDLVSA-N
XLogP1.96
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4Z,7Z,10Z,13Z,16Z,19Z)-N-(2-methoxyethyl)-N-methyldocosa-4,7,10,13,16,19-hexaenamide
CID 155538848
(2R,3R)-2,3-dimethyl-1-morpholin-4-ylpent-4-en-1-one
CID 10987213
2-Methyl-1-morpholin-4-ylpent-4-en-1-one
CID 22628680
(2R,3S)-2,3-dimethyl-1-morpholin-4-ylpent-4-en-1-one
CID 44632318
(2S,3R)-2,3-dimethyl-1-morpholin-4-ylpent-4-en-1-one
CID 100990980
(E)-1-morpholin-4-yloct-4-en-1-one
CID 166437933
2,3-Dimethyl-1-morpholin-4-ylpent-4-en-1-one
CID 12084216
(2R)-2-methyl-1-morpholin-4-ylpent-4-en-1-one
CID 12084219
4-Ethenyl-1-(2-methoxyethyl)pyrrolidin-2-one
CID 58549961
(E,2S)-2,3-dimethyl-1-morpholin-4-ylhex-4-en-1-one
CID 68411602
2-Tert-butyl-4-methyl-1-morpholin-4-ylpent-3-en-1-one
CID 69032903
(E)-N,N-bis(2-ethoxyethyl)-3-methylhex-4-enamide
CID 87443379

Frequently Asked Questions

What is the IUPAC name of (E,3S)-N,N-bis(2-methoxyethyl)-2,3-dimethylhex-4-enamide?
The IUPAC name of (E,3S)-N,N-bis(2-methoxyethyl)-2,3-dimethylhex-4-enamide (CID 141256335) is (E,3S)-N,N-bis(2-methoxyethyl)-2,3-dimethylhex-4-enamide.
What is the SMILES notation for (E,3S)-N,N-bis(2-methoxyethyl)-2,3-dimethylhex-4-enamide?
The canonical SMILES for (E,3S)-N,N-bis(2-methoxyethyl)-2,3-dimethylhex-4-enamide is C/C=C/[C@H](C)C(C)C(=O)N(CCOC)CCOC.
What is the InChIKey of (E,3S)-N,N-bis(2-methoxyethyl)-2,3-dimethylhex-4-enamide?
The InChIKey is LVXRMHRXINLPIU-LOJZCDLVSA-N. The full InChI is InChI=1S/C14H27NO3/c1-6-7-12(2)13(3)14(16)15(8-10-17-4)9-11-18-5/h6-7,12-13H,8-11H2,1-5H3/b7-6+/t12-,13?/m0/s1.
What are the key properties of (E,3S)-N,N-bis(2-methoxyethyl)-2,3-dimethylhex-4-enamide?
(E,3S)-N,N-bis(2-methoxyethyl)-2,3-dimethylhex-4-enamide has a molecular weight of 257.37 g/mol, XLogP of 1.96, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,3S)-N,N-bis(2-methoxyethyl)-2,3-dimethylhex-4-enamide is sourced from PubChem (CID 141256335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).