N-tert-butyl-2-methoxy-2-methyl-N-prop-2-enylpropanamide

C12H23NO2 — CID 103029249

IUPACN-tert-butyl-2-methoxy-2-methyl-N-prop-2-enylpropanamide
SMILESC=CCN(C(=O)C(C)(C)OC)C(C)(C)C
InChIInChI=1S/C12H23NO2/c1-8-9-13(11(2,3)4)10(14)12(5,6)15-7/h8H,1,9H2,2-7H3
InChIKeyHVQYVKXJCPOPKP-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.22
Rot. Bonds4

About N-tert-butyl-2-methoxy-2-methyl-N-prop-2-enylpropanamide

N-tert-butyl-2-methoxy-2-methyl-N-prop-2-enylpropanamide (PubChem CID 103029249) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is N-tert-butyl-2-methoxy-2-methyl-N-prop-2-enylpropanamide.

Molecular Properties

Compound NameN-tert-butyl-2-methoxy-2-methyl-N-prop-2-enylpropanamide
PubChem CID103029249
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC NameN-tert-butyl-2-methoxy-2-methyl-N-prop-2-enylpropanamide
SMILESC=CCN(C(=O)C(C)(C)OC)C(C)(C)C
InChIInChI=1S/C12H23NO2/c1-8-9-13(11(2,3)4)10(14)12(5,6)15-7/h8H,1,9H2,2-7H3
InChIKeyHVQYVKXJCPOPKP-UHFFFAOYSA-N
XLogP2.22
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-methoxy-2-methyl-N-prop-2-enylpropanamide?
The IUPAC name of N-tert-butyl-2-methoxy-2-methyl-N-prop-2-enylpropanamide (CID 103029249) is N-tert-butyl-2-methoxy-2-methyl-N-prop-2-enylpropanamide.
What is the SMILES notation for N-tert-butyl-2-methoxy-2-methyl-N-prop-2-enylpropanamide?
The canonical SMILES for N-tert-butyl-2-methoxy-2-methyl-N-prop-2-enylpropanamide is C=CCN(C(=O)C(C)(C)OC)C(C)(C)C.
What is the InChIKey of N-tert-butyl-2-methoxy-2-methyl-N-prop-2-enylpropanamide?
The InChIKey is HVQYVKXJCPOPKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-8-9-13(11(2,3)4)10(14)12(5,6)15-7/h8H,1,9H2,2-7H3.
What are the key properties of N-tert-butyl-2-methoxy-2-methyl-N-prop-2-enylpropanamide?
N-tert-butyl-2-methoxy-2-methyl-N-prop-2-enylpropanamide has a molecular weight of 213.32 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-methoxy-2-methyl-N-prop-2-enylpropanamide is sourced from PubChem (CID 103029249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).