(E)-N-ethyl-2,3-dimethoxybut-2-enamide

C8H15NO3 — CID 59963763

IUPAC(E)-N-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)/b7-6+
InChIKeyXMMBPWQHXMBBRY-VOTSOKGWSA-N
MW173.21 g/mol
LogP0.65
Rot. Bonds4

About (E)-N-ethyl-2,3-dimethoxybut-2-enamide

(E)-N-ethyl-2,3-dimethoxybut-2-enamide (PubChem CID 59963763) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is (E)-N-ethyl-2,3-dimethoxybut-2-enamide.

Molecular Properties

Compound Name(E)-N-ethyl-2,3-dimethoxybut-2-enamide
PubChem CID59963763
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name(E)-N-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)/b7-6+
InChIKeyXMMBPWQHXMBBRY-VOTSOKGWSA-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

2-methoxy-N-(propan-2-yl)prop-2-enamide
CID 13399116
2-ethoxy-N-propylacrylamide
CID 21593456
2-Oxo-3-methoxy-3-pyrroline
CID 129696258
N-isopropyl-2-methoxy-2,3-butadieneamide
CID 11815969
2-methoxy-N-propyl-2,3-butadieneamide
CID 15522204
3,4-Dimethoxy-3-pyrrolin-2-one
CID 55287005
2-methoxy-N-propylacrylamide
CID 55287359
3,4-Bis-(2-methoxyethoxy)-3-pyrrolin-2-one
CID 129839059
N-butyl-2,3-dimethoxyprop-2-enamide
CID 54199126
2-ethoxy-N-ethylprop-2-enamide
CID 55288278
N-(cyclopropylmethyl)-2-methoxy-3-methylbut-2-enamide
CID 58065338
N-cyclopropyl-2-methoxy-3-methylbut-2-enamide
CID 58065342

Frequently Asked Questions

What is the IUPAC name of (E)-N-ethyl-2,3-dimethoxybut-2-enamide?
The IUPAC name of (E)-N-ethyl-2,3-dimethoxybut-2-enamide (CID 59963763) is (E)-N-ethyl-2,3-dimethoxybut-2-enamide.
What is the SMILES notation for (E)-N-ethyl-2,3-dimethoxybut-2-enamide?
The canonical SMILES for (E)-N-ethyl-2,3-dimethoxybut-2-enamide is CCNC(=O)/C(OC)=C(/C)OC.
What is the InChIKey of (E)-N-ethyl-2,3-dimethoxybut-2-enamide?
The InChIKey is XMMBPWQHXMBBRY-VOTSOKGWSA-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)/b7-6+.
What are the key properties of (E)-N-ethyl-2,3-dimethoxybut-2-enamide?
(E)-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 (E)-N-ethyl-2,3-dimethoxybut-2-enamide is sourced from PubChem (CID 59963763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).