2-methoxy-N-propan-2-ylbuta-2,3-dienamide

C8H13NO2 — CID 11815969

IUPAC2-methoxy-N-propan-2-ylbuta-2,3-dienamide
SMILESC=C=C(OC)C(=O)NC(C)C
InChIInChI=1S/C8H13NO2/c1-5-7(11-4)8(10)9-6(2)3/h6H,1H2,2-4H3,(H,9,10)
InChIKeyLSNMBIUZBFWUPV-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.83
Rot. Bonds3

About 2-methoxy-N-propan-2-ylbuta-2,3-dienamide

2-methoxy-N-propan-2-ylbuta-2,3-dienamide (PubChem CID 11815969) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 2-methoxy-N-propan-2-ylbuta-2,3-dienamide.

Molecular Properties

Compound Name2-methoxy-N-propan-2-ylbuta-2,3-dienamide
PubChem CID11815969
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name2-methoxy-N-propan-2-ylbuta-2,3-dienamide
SMILESC=C=C(OC)C(=O)NC(C)C
InChIInChI=1S/C8H13NO2/c1-5-7(11-4)8(10)9-6(2)3/h6H,1H2,2-4H3,(H,9,10)
InChIKeyLSNMBIUZBFWUPV-UHFFFAOYSA-N
XLogP0.83
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-ethoxy-N-isopropylacrylamide
CID 11275142
2-methoxy-N-(propan-2-yl)prop-2-enamide
CID 13399116
2-ethoxy-N-propylacrylamide
CID 21593456
2-methoxy-N-propyl-2,3-butadieneamide
CID 15522204
2-methoxy-N-propylacrylamide
CID 55287359
2-butoxy-N-propylacrylamide
CID 85969592
lithium 2-methoxy-N-propan-2-ylprop-2-enamide
CID 134906467
N-butyl-2-ethoxyprop-2-enamide
CID 20465482
N-butyl-2,3-dimethoxyprop-2-enamide
CID 54199126
2-ethoxy-N-ethylprop-2-enamide
CID 55288278
(E)-N-ethyl-2,3-dimethoxybut-2-enamide
CID 59963763
N-ethyl-2,3-dimethoxybut-2-enamide
CID 72608275

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-propan-2-ylbuta-2,3-dienamide?
The IUPAC name of 2-methoxy-N-propan-2-ylbuta-2,3-dienamide (CID 11815969) is 2-methoxy-N-propan-2-ylbuta-2,3-dienamide.
What is the SMILES notation for 2-methoxy-N-propan-2-ylbuta-2,3-dienamide?
The canonical SMILES for 2-methoxy-N-propan-2-ylbuta-2,3-dienamide is C=C=C(OC)C(=O)NC(C)C.
What is the InChIKey of 2-methoxy-N-propan-2-ylbuta-2,3-dienamide?
The InChIKey is LSNMBIUZBFWUPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-5-7(11-4)8(10)9-6(2)3/h6H,1H2,2-4H3,(H,9,10).
What are the key properties of 2-methoxy-N-propan-2-ylbuta-2,3-dienamide?
2-methoxy-N-propan-2-ylbuta-2,3-dienamide has a molecular weight of 155.20 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-propan-2-ylbuta-2,3-dienamide is sourced from PubChem (CID 11815969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).