N,2-dimethyl-N-[methyl(2-methylprop-2-enoyl)carbamoyl]prop-2-enamide

C11H16N2O3 — CID 71414217

IUPACN,2-dimethyl-N-[methyl(2-methylprop-2-enoyl)carbamoyl]prop-2-enamide
SMILESC=C(C)C(=O)N(C)C(=O)N(C)C(=O)C(=C)C
InChIInChI=1S/C11H16N2O3/c1-7(2)9(14)12(5)11(16)13(6)10(15)8(3)4/h1,3H2,2,4-6H3
InChIKeyWOJALGSFDUWREM-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.18
Rot. Bonds2

About N,2-dimethyl-N-[methyl(2-methylprop-2-enoyl)carbamoyl]prop-2-enamide

N,2-dimethyl-N-[methyl(2-methylprop-2-enoyl)carbamoyl]prop-2-enamide (PubChem CID 71414217) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is N,2-dimethyl-N-[methyl(2-methylprop-2-enoyl)carbamoyl]prop-2-enamide.

Molecular Properties

Compound NameN,2-dimethyl-N-[methyl(2-methylprop-2-enoyl)carbamoyl]prop-2-enamide
PubChem CID71414217
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC NameN,2-dimethyl-N-[methyl(2-methylprop-2-enoyl)carbamoyl]prop-2-enamide
SMILESC=C(C)C(=O)N(C)C(=O)N(C)C(=O)C(=C)C
InChIInChI=1S/C11H16N2O3/c1-7(2)9(14)12(5)11(16)13(6)10(15)8(3)4/h1,3H2,2,4-6H3
InChIKeyWOJALGSFDUWREM-UHFFFAOYSA-N
XLogP1.18
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 N,2-dimethyl-N-[methyl(2-methylprop-2-enoyl)carbamoyl]prop-2-enamide?
The IUPAC name of N,2-dimethyl-N-[methyl(2-methylprop-2-enoyl)carbamoyl]prop-2-enamide (CID 71414217) is N,2-dimethyl-N-[methyl(2-methylprop-2-enoyl)carbamoyl]prop-2-enamide.
What is the SMILES notation for N,2-dimethyl-N-[methyl(2-methylprop-2-enoyl)carbamoyl]prop-2-enamide?
The canonical SMILES for N,2-dimethyl-N-[methyl(2-methylprop-2-enoyl)carbamoyl]prop-2-enamide is C=C(C)C(=O)N(C)C(=O)N(C)C(=O)C(=C)C.
What is the InChIKey of N,2-dimethyl-N-[methyl(2-methylprop-2-enoyl)carbamoyl]prop-2-enamide?
The InChIKey is WOJALGSFDUWREM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-7(2)9(14)12(5)11(16)13(6)10(15)8(3)4/h1,3H2,2,4-6H3.
What are the key properties of N,2-dimethyl-N-[methyl(2-methylprop-2-enoyl)carbamoyl]prop-2-enamide?
N,2-dimethyl-N-[methyl(2-methylprop-2-enoyl)carbamoyl]prop-2-enamide has a molecular weight of 224.26 g/mol, XLogP of 1.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[methyl(2-methylprop-2-enoyl)carbamoyl]prop-2-enamide is sourced from PubChem (CID 71414217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).