N-tert-butyl-2-methyl-N-(2-oxoethyl)prop-2-enamide

C10H17NO2 — CID 19094499

IUPACN-tert-butyl-2-methyl-N-(2-oxoethyl)prop-2-enamide
SMILESC=C(C)C(=O)N(CC=O)C(C)(C)C
InChIInChI=1S/C10H17NO2/c1-8(2)9(13)11(6-7-12)10(3,4)5/h7H,1,6H2,2-5H3
InChIKeyXUFNQAMBQRSYJH-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.39
Rot. Bonds3

About N-tert-butyl-2-methyl-N-(2-oxoethyl)prop-2-enamide

N-tert-butyl-2-methyl-N-(2-oxoethyl)prop-2-enamide (PubChem CID 19094499) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is N-tert-butyl-2-methyl-N-(2-oxoethyl)prop-2-enamide.

Molecular Properties

Compound NameN-tert-butyl-2-methyl-N-(2-oxoethyl)prop-2-enamide
PubChem CID19094499
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC NameN-tert-butyl-2-methyl-N-(2-oxoethyl)prop-2-enamide
SMILESC=C(C)C(=O)N(CC=O)C(C)(C)C
InChIInChI=1S/C10H17NO2/c1-8(2)9(13)11(6-7-12)10(3,4)5/h7H,1,6H2,2-5H3
InChIKeyXUFNQAMBQRSYJH-UHFFFAOYSA-N
XLogP1.39
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-methyl-N-(2-oxoethyl)prop-2-enamide?
The IUPAC name of N-tert-butyl-2-methyl-N-(2-oxoethyl)prop-2-enamide (CID 19094499) is N-tert-butyl-2-methyl-N-(2-oxoethyl)prop-2-enamide.
What is the SMILES notation for N-tert-butyl-2-methyl-N-(2-oxoethyl)prop-2-enamide?
The canonical SMILES for N-tert-butyl-2-methyl-N-(2-oxoethyl)prop-2-enamide is C=C(C)C(=O)N(CC=O)C(C)(C)C.
What is the InChIKey of N-tert-butyl-2-methyl-N-(2-oxoethyl)prop-2-enamide?
The InChIKey is XUFNQAMBQRSYJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-8(2)9(13)11(6-7-12)10(3,4)5/h7H,1,6H2,2-5H3.
What are the key properties of N-tert-butyl-2-methyl-N-(2-oxoethyl)prop-2-enamide?
N-tert-butyl-2-methyl-N-(2-oxoethyl)prop-2-enamide has a molecular weight of 183.25 g/mol, XLogP of 1.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-methyl-N-(2-oxoethyl)prop-2-enamide is sourced from PubChem (CID 19094499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).