3-methyl-N-[1-[methyl(3-methylbut-2-enoyl)amino]propan-2-yl]but-2-enamide

C14H24N2O2 — CID 71854255

IUPAC3-methyl-N-[1-[methyl(3-methylbut-2-enoyl)amino]propan-2-yl]but-2-enamide
SMILESCC(C)=CC(=O)NC(C)CN(C)C(=O)C=C(C)C
InChIInChI=1S/C14H24N2O2/c1-10(2)7-13(17)15-12(5)9-16(6)14(18)8-11(3)4/h7-8,12H,9H2,1-6H3,(H,15,17)
InChIKeyKBYUGVYZRUXSIO-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.88
Rot. Bonds5

About 3-methyl-N-[1-[methyl(3-methylbut-2-enoyl)amino]propan-2-yl]but-2-enamide

3-methyl-N-[1-[methyl(3-methylbut-2-enoyl)amino]propan-2-yl]but-2-enamide (PubChem CID 71854255) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 3-methyl-N-[1-[methyl(3-methylbut-2-enoyl)amino]propan-2-yl]but-2-enamide.

Molecular Properties

Compound Name3-methyl-N-[1-[methyl(3-methylbut-2-enoyl)amino]propan-2-yl]but-2-enamide
PubChem CID71854255
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name3-methyl-N-[1-[methyl(3-methylbut-2-enoyl)amino]propan-2-yl]but-2-enamide
SMILESCC(C)=CC(=O)NC(C)CN(C)C(=O)C=C(C)C
InChIInChI=1S/C14H24N2O2/c1-10(2)7-13(17)15-12(5)9-16(6)14(18)8-11(3)4/h7-8,12H,9H2,1-6H3,(H,15,17)
InChIKeyKBYUGVYZRUXSIO-UHFFFAOYSA-N
XLogP1.88
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.88
H-Bond Donors ≤ 51
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 3-methyl-N-[1-[methyl(3-methylbut-2-enoyl)amino]propan-2-yl]but-2-enamide?
The IUPAC name of 3-methyl-N-[1-[methyl(3-methylbut-2-enoyl)amino]propan-2-yl]but-2-enamide (CID 71854255) is 3-methyl-N-[1-[methyl(3-methylbut-2-enoyl)amino]propan-2-yl]but-2-enamide.
What is the SMILES notation for 3-methyl-N-[1-[methyl(3-methylbut-2-enoyl)amino]propan-2-yl]but-2-enamide?
The canonical SMILES for 3-methyl-N-[1-[methyl(3-methylbut-2-enoyl)amino]propan-2-yl]but-2-enamide is CC(C)=CC(=O)NC(C)CN(C)C(=O)C=C(C)C.
What is the InChIKey of 3-methyl-N-[1-[methyl(3-methylbut-2-enoyl)amino]propan-2-yl]but-2-enamide?
The InChIKey is KBYUGVYZRUXSIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-10(2)7-13(17)15-12(5)9-16(6)14(18)8-11(3)4/h7-8,12H,9H2,1-6H3,(H,15,17).
What are the key properties of 3-methyl-N-[1-[methyl(3-methylbut-2-enoyl)amino]propan-2-yl]but-2-enamide?
3-methyl-N-[1-[methyl(3-methylbut-2-enoyl)amino]propan-2-yl]but-2-enamide has a molecular weight of 252.36 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[1-[methyl(3-methylbut-2-enoyl)amino]propan-2-yl]but-2-enamide is sourced from PubChem (CID 71854255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).