N-ethyl-2,3-dimethoxybut-2-enamide

C8H15NO3 — CID 72608275

IUPACN-ethyl-2,3-dimethoxybut-2-enamide
SMILESCCNC(=O)C(OC)=C(C)OC
InChIInChI=1S/C8H15NO3/c1-5-9-8(10)7(12-4)6(2)11-3/h5H2,1-4H3,(H,9,10)
InChIKeyXMMBPWQHXMBBRY-UHFFFAOYSA-N
MW173.21 g/mol
LogP0.65
Rot. Bonds4

About N-ethyl-2,3-dimethoxybut-2-enamide

N-ethyl-2,3-dimethoxybut-2-enamide (PubChem CID 72608275) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is N-ethyl-2,3-dimethoxybut-2-enamide.

Molecular Properties

Compound NameN-ethyl-2,3-dimethoxybut-2-enamide
PubChem CID72608275
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC NameN-ethyl-2,3-dimethoxybut-2-enamide
SMILESCCNC(=O)C(OC)=C(C)OC
InChIInChI=1S/C8H15NO3/c1-5-9-8(10)7(12-4)6(2)11-3/h5H2,1-4H3,(H,9,10)
InChIKeyXMMBPWQHXMBBRY-UHFFFAOYSA-N
XLogP0.65
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N-ethyl-2-methylbut-2-enamide
CID 22451134
[3-chloro-4-(ethylamino)-4-oxobut-2-en-2-yl] dimethyl phosphate
CID 71434971
N'-(2,2-dimethoxyethyl)-N-ethyloxamide
CID 44997787
N-ethyl-2,3,3-trihydroxyprop-2-enamide
CID 161274596
2-(ethylamino)-2-oxoacetic acid;hydrochloride
CID 87148402
CID 88764909
CID 88764909
N-ethylacetamide;hydrochloride
CID 87177071
methyl (E)-3-(ethylamino)but-2-enoate
CID 22895227
methyl (2Z)-2-(1-methoxyethylidene)-3-oxopentanoate
CID 58781562
N-ethyl-2-fluoroprop-2-enamide
CID 138502811
(2E)-2-ethenyl-N-ethyl-3-methylpenta-2,4-dienamide
CID 144618741
(E)-N-ethyl-2-methylnon-2-enamide
CID 87136870

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,3-dimethoxybut-2-enamide?
The IUPAC name of N-ethyl-2,3-dimethoxybut-2-enamide (CID 72608275) is N-ethyl-2,3-dimethoxybut-2-enamide.
What is the SMILES notation for N-ethyl-2,3-dimethoxybut-2-enamide?
The canonical SMILES for N-ethyl-2,3-dimethoxybut-2-enamide is CCNC(=O)C(OC)=C(C)OC.
What is the InChIKey of N-ethyl-2,3-dimethoxybut-2-enamide?
The InChIKey is XMMBPWQHXMBBRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-5-9-8(10)7(12-4)6(2)11-3/h5H2,1-4H3,(H,9,10).
What are the key properties of N-ethyl-2,3-dimethoxybut-2-enamide?
N-ethyl-2,3-dimethoxybut-2-enamide has a molecular weight of 173.21 g/mol, XLogP of 0.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,3-dimethoxybut-2-enamide is sourced from PubChem (CID 72608275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).