2-methyl-N-propan-2-ylprop-2-enamide;N-propan-2-ylprop-2-enamide

C13H24N2O2 — CID 87926298

IUPAC2-methyl-N-propan-2-ylprop-2-enamide;N-propan-2-ylprop-2-enamide
SMILESC=C(C)C(=O)NC(C)C.C=CC(=O)NC(C)C
InChIInChI=1S/C7H13NO.C6H11NO/c1-5(2)7(9)8-6(3)4;1-4-6(8)7-5(2)3/h6H,1H2,2-4H3,(H,8,9);4-5H,1H2,2-3H3,(H,7,8)
InChIKeyQTHDIPDKFZUMJO-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.78
Rot. Bonds4

About 2-methyl-N-propan-2-ylprop-2-enamide;N-propan-2-ylprop-2-enamide

2-methyl-N-propan-2-ylprop-2-enamide;N-propan-2-ylprop-2-enamide (PubChem CID 87926298) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-methyl-N-propan-2-ylprop-2-enamide;N-propan-2-ylprop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-propan-2-ylprop-2-enamide;N-propan-2-ylprop-2-enamide
PubChem CID87926298
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name2-methyl-N-propan-2-ylprop-2-enamide;N-propan-2-ylprop-2-enamide
SMILESC=C(C)C(=O)NC(C)C.C=CC(=O)NC(C)C
InChIInChI=1S/C7H13NO.C6H11NO/c1-5(2)7(9)8-6(3)4;1-4-6(8)7-5(2)3/h6H,1H2,2-4H3,(H,8,9);4-5H,1H2,2-3H3,(H,7,8)
InChIKeyQTHDIPDKFZUMJO-UHFFFAOYSA-N
XLogP1.78
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-propan-2-ylprop-2-enamide;N-propan-2-ylprop-2-enamide?
The IUPAC name of 2-methyl-N-propan-2-ylprop-2-enamide;N-propan-2-ylprop-2-enamide (CID 87926298) is 2-methyl-N-propan-2-ylprop-2-enamide;N-propan-2-ylprop-2-enamide.
What is the SMILES notation for 2-methyl-N-propan-2-ylprop-2-enamide;N-propan-2-ylprop-2-enamide?
The canonical SMILES for 2-methyl-N-propan-2-ylprop-2-enamide;N-propan-2-ylprop-2-enamide is C=C(C)C(=O)NC(C)C.C=CC(=O)NC(C)C.
What is the InChIKey of 2-methyl-N-propan-2-ylprop-2-enamide;N-propan-2-ylprop-2-enamide?
The InChIKey is QTHDIPDKFZUMJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO.C6H11NO/c1-5(2)7(9)8-6(3)4;1-4-6(8)7-5(2)3/h6H,1H2,2-4H3,(H,8,9);4-5H,1H2,2-3H3,(H,7,8).
What are the key properties of 2-methyl-N-propan-2-ylprop-2-enamide;N-propan-2-ylprop-2-enamide?
2-methyl-N-propan-2-ylprop-2-enamide;N-propan-2-ylprop-2-enamide has a molecular weight of 240.35 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-propan-2-ylprop-2-enamide;N-propan-2-ylprop-2-enamide is sourced from PubChem (CID 87926298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).