N-[(E)-but-2-enyl]-2-methoxy-2-methylpropanamide

C9H17NO2 — CID 178010089

IUPACN-[(E)-but-2-enyl]-2-methoxy-2-methylpropanamide
SMILESC/C=C/CNC(=O)C(C)(C)OC
InChIInChI=1S/C9H17NO2/c1-5-6-7-10-8(11)9(2,3)12-4/h5-6H,7H2,1-4H3,(H,10,11)/b6-5+
InChIKeyKKGNOCJEBPELDK-AATRIKPKSA-N
MW171.24 g/mol
LogP1.10
Rot. Bonds4

About N-[(E)-but-2-enyl]-2-methoxy-2-methylpropanamide

N-[(E)-but-2-enyl]-2-methoxy-2-methylpropanamide (PubChem CID 178010089) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is N-[(E)-but-2-enyl]-2-methoxy-2-methylpropanamide.

Molecular Properties

Compound NameN-[(E)-but-2-enyl]-2-methoxy-2-methylpropanamide
PubChem CID178010089
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC NameN-[(E)-but-2-enyl]-2-methoxy-2-methylpropanamide
SMILESC/C=C/CNC(=O)C(C)(C)OC
InChIInChI=1S/C9H17NO2/c1-5-6-7-10-8(11)9(2,3)12-4/h5-6H,7H2,1-4H3,(H,10,11)/b6-5+
InChIKeyKKGNOCJEBPELDK-AATRIKPKSA-N
XLogP1.10
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-but-2-enyl]-2-methoxyacetamide
CID 59999383
2-[(2-methylpropan-2-yl)oxy]-N-prop-2-enylacetamide
CID 60007900
N-but-2-enyl-2-methoxyacetamide
CID 72618261
2-methoxy-N-prop-2-enylpropanamide
CID 100983783
2-methoxy-2-methyl-N-propylpropanamide
CID 103652096
N-[(E)-but-2-enyl]-2-butoxyacetamide
CID 155242791
2-methoxy-N-[(E)-2-methylbut-2-enyl]acetamide
CID 156566243
ethane;2-methoxy-2-methyl-N-propylpropanamide
CID 164554117
ethane;2-methoxy-2-methyl-N-propylpropanamide
CID 164555782
2-methoxy-2-methyl-N-[(2R,3R)-3-methylpent-4-en-2-yl]propanamide
CID 174019067
2-methoxy-N-[(2E,4Z)-2-methylhexa-2,4-dienyl]acetamide
CID 177046936
N-[(E)-but-2-enyl]-2-ethoxypropanamide
CID 178009933

Frequently Asked Questions

What is the IUPAC name of N-[(E)-but-2-enyl]-2-methoxy-2-methylpropanamide?
The IUPAC name of N-[(E)-but-2-enyl]-2-methoxy-2-methylpropanamide (CID 178010089) is N-[(E)-but-2-enyl]-2-methoxy-2-methylpropanamide.
What is the SMILES notation for N-[(E)-but-2-enyl]-2-methoxy-2-methylpropanamide?
The canonical SMILES for N-[(E)-but-2-enyl]-2-methoxy-2-methylpropanamide is C/C=C/CNC(=O)C(C)(C)OC.
What is the InChIKey of N-[(E)-but-2-enyl]-2-methoxy-2-methylpropanamide?
The InChIKey is KKGNOCJEBPELDK-AATRIKPKSA-N. The full InChI is InChI=1S/C9H17NO2/c1-5-6-7-10-8(11)9(2,3)12-4/h5-6H,7H2,1-4H3,(H,10,11)/b6-5+.
What are the key properties of N-[(E)-but-2-enyl]-2-methoxy-2-methylpropanamide?
N-[(E)-but-2-enyl]-2-methoxy-2-methylpropanamide has a molecular weight of 171.24 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-but-2-enyl]-2-methoxy-2-methylpropanamide is sourced from PubChem (CID 178010089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).