ethane;(Z)-4-methoxy-3-(methylamino)but-2-enamide

C8H18N2O2 — CID 178170562

IUPACethane;(Z)-4-methoxy-3-(methylamino)but-2-enamide
SMILESCC.CN/C(=C\C(N)=O)COC
InChIInChI=1S/C6H12N2O2.C2H6/c1-8-5(4-10-2)3-6(7)9;1-2/h3,8H,4H2,1-2H3,(H2,7,9);1-2H3/b5-3-;
InChIKeyYTLASBAIZSLFIL-FBZPGIPVSA-N
MW174.24 g/mol
LogP0.25
Rot. Bonds4

About ethane;(Z)-4-methoxy-3-(methylamino)but-2-enamide

ethane;(Z)-4-methoxy-3-(methylamino)but-2-enamide (PubChem CID 178170562) has the molecular formula C8H18N2O2 and a molecular weight of 174.24 g/mol. Its IUPAC name is ethane;(Z)-4-methoxy-3-(methylamino)but-2-enamide.

Molecular Properties

Compound Nameethane;(Z)-4-methoxy-3-(methylamino)but-2-enamide
PubChem CID178170562
Molecular FormulaC8H18N2O2
Molecular Weight174.24 g/mol
Exact Mass174.14
IUPAC Nameethane;(Z)-4-methoxy-3-(methylamino)but-2-enamide
SMILESCC.CN/C(=C\C(N)=O)COC
InChIInChI=1S/C6H12N2O2.C2H6/c1-8-5(4-10-2)3-6(7)9;1-2/h3,8H,4H2,1-2H3,(H2,7,9);1-2H3/b5-3-;
InChIKeyYTLASBAIZSLFIL-FBZPGIPVSA-N
XLogP0.25
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-acetyloxy-3-(methylamino)but-2-enoate
CID 173442900
N-(diaminomethylidene)-2-methoxyacetamide
CID 55284547
methyl (Z)-4-amino-2-methyl-4-oxobut-2-enoate
CID 88519783
ethane;3-methoxy-N-methylpropanamide
CID 178014406
methylurea;ruthenium
CID 159209634
(Z)-4-amino-2-[2-(methylamino)-2-oxoethyl]-4-oxobut-2-enoic acid
CID 152916197
ethyl (Z)-3-amino-4-methoxybut-2-enoate
CID 45122131
(4-amino-2-methoxy-4-oxobut-2-enylidene)azanium
CID 163489386
ethane;methane;N-methoxymethanamine;N-methylformamide;propanamide
CID 162147602
2-[2-(2-methoxyethoxy)ethoxy]-N-methylacetamide
CID 22961397
2-methoxy-N-propan-2-yloxyacetamide
CID 126991751
(E)-5-methoxy-4-methylpent-3-en-2-one
CID 24973969

Frequently Asked Questions

What is the IUPAC name of ethane;(Z)-4-methoxy-3-(methylamino)but-2-enamide?
The IUPAC name of ethane;(Z)-4-methoxy-3-(methylamino)but-2-enamide (CID 178170562) is ethane;(Z)-4-methoxy-3-(methylamino)but-2-enamide.
What is the SMILES notation for ethane;(Z)-4-methoxy-3-(methylamino)but-2-enamide?
The canonical SMILES for ethane;(Z)-4-methoxy-3-(methylamino)but-2-enamide is CC.CN/C(=C\C(N)=O)COC.
What is the InChIKey of ethane;(Z)-4-methoxy-3-(methylamino)but-2-enamide?
The InChIKey is YTLASBAIZSLFIL-FBZPGIPVSA-N. The full InChI is InChI=1S/C6H12N2O2.C2H6/c1-8-5(4-10-2)3-6(7)9;1-2/h3,8H,4H2,1-2H3,(H2,7,9);1-2H3/b5-3-;.
What are the key properties of ethane;(Z)-4-methoxy-3-(methylamino)but-2-enamide?
ethane;(Z)-4-methoxy-3-(methylamino)but-2-enamide has a molecular weight of 174.24 g/mol, XLogP of 0.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z)-4-methoxy-3-(methylamino)but-2-enamide is sourced from PubChem (CID 178170562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).