N,2-dimethyl-N-[2-[methyl(prop-2-enoyl)amino]ethyl]prop-2-enamide

C11H18N2O2 — CID 23525820

IUPACN,2-dimethyl-N-[2-[methyl(prop-2-enoyl)amino]ethyl]prop-2-enamide
SMILESC=CC(=O)N(C)CCN(C)C(=O)C(=C)C
InChIInChI=1S/C11H18N2O2/c1-6-10(14)12(4)7-8-13(5)11(15)9(2)3/h6H,1-2,7-8H2,3-5H3
InChIKeyPYQWBARDOUTHOY-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.67
Rot. Bonds5

About N,2-dimethyl-N-[2-[methyl(prop-2-enoyl)amino]ethyl]prop-2-enamide

N,2-dimethyl-N-[2-[methyl(prop-2-enoyl)amino]ethyl]prop-2-enamide (PubChem CID 23525820) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is N,2-dimethyl-N-[2-[methyl(prop-2-enoyl)amino]ethyl]prop-2-enamide.

Molecular Properties

Compound NameN,2-dimethyl-N-[2-[methyl(prop-2-enoyl)amino]ethyl]prop-2-enamide
PubChem CID23525820
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC NameN,2-dimethyl-N-[2-[methyl(prop-2-enoyl)amino]ethyl]prop-2-enamide
SMILESC=CC(=O)N(C)CCN(C)C(=O)C(=C)C
InChIInChI=1S/C11H18N2O2/c1-6-10(14)12(4)7-8-13(5)11(15)9(2)3/h6H,1-2,7-8H2,3-5H3
InChIKeyPYQWBARDOUTHOY-UHFFFAOYSA-N
XLogP0.67
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
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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Related Compounds

N-methyl-N-[3-[methyl(prop-2-enoyl)amino]propyl]prop-2-enamide
CID 59017028
N,2-dimethyl-N-[3,3,5-trimethyl-6-[methyl(prop-2-enoyl)amino]hexyl]prop-2-enamide
CID 146260613
N,2-dimethyl-N-tetracosylprop-2-enamide
CID 87262023
N-[3-(dimethylamino)propyl]-N-methylprop-2-enamide;hydrazine
CID 162091587
4-[methyl(prop-2-enoyl)amino]butanoic acid
CID 43151837
N-methyl-N-(sulfanylmethyl)prop-2-enamide
CID 170148935
N-(iodomethyl)-N,2-dimethylprop-2-enamide
CID 146497620
CID 58422062
CID 58422062
N-methyl-N-(3-sulfanylbutyl)prop-2-enamide
CID 141133278
N-methyl-N-[3-[methyl(prop-2-enoyl)amino]pentyl]prop-2-enamide
CID 158816365
N-(3-formamidopropyl)-N-methylprop-2-enamide
CID 141060601
N-(4-amino-4-methylpentyl)-N,2-dimethylprop-2-enamide
CID 138739134

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[2-[methyl(prop-2-enoyl)amino]ethyl]prop-2-enamide?
The IUPAC name of N,2-dimethyl-N-[2-[methyl(prop-2-enoyl)amino]ethyl]prop-2-enamide (CID 23525820) is N,2-dimethyl-N-[2-[methyl(prop-2-enoyl)amino]ethyl]prop-2-enamide.
What is the SMILES notation for N,2-dimethyl-N-[2-[methyl(prop-2-enoyl)amino]ethyl]prop-2-enamide?
The canonical SMILES for N,2-dimethyl-N-[2-[methyl(prop-2-enoyl)amino]ethyl]prop-2-enamide is C=CC(=O)N(C)CCN(C)C(=O)C(=C)C.
What is the InChIKey of N,2-dimethyl-N-[2-[methyl(prop-2-enoyl)amino]ethyl]prop-2-enamide?
The InChIKey is PYQWBARDOUTHOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-6-10(14)12(4)7-8-13(5)11(15)9(2)3/h6H,1-2,7-8H2,3-5H3.
What are the key properties of N,2-dimethyl-N-[2-[methyl(prop-2-enoyl)amino]ethyl]prop-2-enamide?
N,2-dimethyl-N-[2-[methyl(prop-2-enoyl)amino]ethyl]prop-2-enamide has a molecular weight of 210.28 g/mol, XLogP of 0.67, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[2-[methyl(prop-2-enoyl)amino]ethyl]prop-2-enamide is sourced from PubChem (CID 23525820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).