N-methyl-N-[3-[methyl(prop-2-enoyl)amino]propyl]prop-2-enamide

C11H18N2O2 — CID 59017028

IUPACN-methyl-N-[3-[methyl(prop-2-enoyl)amino]propyl]prop-2-enamide
SMILESC=CC(=O)N(C)CCCN(C)C(=O)C=C
InChIInChI=1S/C11H18N2O2/c1-5-10(14)12(3)8-7-9-13(4)11(15)6-2/h5-6H,1-2,7-9H2,3-4H3
InChIKeyGWKQDUIARWCAPF-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.67
Rot. Bonds6

About N-methyl-N-[3-[methyl(prop-2-enoyl)amino]propyl]prop-2-enamide

N-methyl-N-[3-[methyl(prop-2-enoyl)amino]propyl]prop-2-enamide (PubChem CID 59017028) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is N-methyl-N-[3-[methyl(prop-2-enoyl)amino]propyl]prop-2-enamide.

Molecular Properties

Compound NameN-methyl-N-[3-[methyl(prop-2-enoyl)amino]propyl]prop-2-enamide
PubChem CID59017028
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC NameN-methyl-N-[3-[methyl(prop-2-enoyl)amino]propyl]prop-2-enamide
SMILESC=CC(=O)N(C)CCCN(C)C(=O)C=C
InChIInChI=1S/C11H18N2O2/c1-5-10(14)12(3)8-7-9-13(4)11(15)6-2/h5-6H,1-2,7-9H2,3-4H3
InChIKeyGWKQDUIARWCAPF-UHFFFAOYSA-N
XLogP0.67
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.67
H-Bond Donors ≤ 50
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 N-methyl-N-[3-[methyl(prop-2-enoyl)amino]propyl]prop-2-enamide?
The IUPAC name of N-methyl-N-[3-[methyl(prop-2-enoyl)amino]propyl]prop-2-enamide (CID 59017028) is N-methyl-N-[3-[methyl(prop-2-enoyl)amino]propyl]prop-2-enamide.
What is the SMILES notation for N-methyl-N-[3-[methyl(prop-2-enoyl)amino]propyl]prop-2-enamide?
The canonical SMILES for N-methyl-N-[3-[methyl(prop-2-enoyl)amino]propyl]prop-2-enamide is C=CC(=O)N(C)CCCN(C)C(=O)C=C.
What is the InChIKey of N-methyl-N-[3-[methyl(prop-2-enoyl)amino]propyl]prop-2-enamide?
The InChIKey is GWKQDUIARWCAPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-5-10(14)12(3)8-7-9-13(4)11(15)6-2/h5-6H,1-2,7-9H2,3-4H3.
What are the key properties of N-methyl-N-[3-[methyl(prop-2-enoyl)amino]propyl]prop-2-enamide?
N-methyl-N-[3-[methyl(prop-2-enoyl)amino]propyl]prop-2-enamide has a molecular weight of 210.28 g/mol, XLogP of 0.67, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[3-[methyl(prop-2-enoyl)amino]propyl]prop-2-enamide is sourced from PubChem (CID 59017028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).