N-[[hydroxymethyl(2-methylprop-2-enoyl)amino]methyl]-2-methylprop-2-enamide

C10H16N2O3 — CID 21330966

IUPACN-[[hydroxymethyl(2-methylprop-2-enoyl)amino]methyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCN(CO)C(=O)C(=C)C
InChIInChI=1S/C10H16N2O3/c1-7(2)9(14)11-5-12(6-13)10(15)8(3)4/h13H,1,3,5-6H2,2,4H3,(H,11,14)
InChIKeyUNUDFBFKUZRUNL-UHFFFAOYSA-N
MW212.25 g/mol
LogP-0.01
Rot. Bonds5

About N-[[hydroxymethyl(2-methylprop-2-enoyl)amino]methyl]-2-methylprop-2-enamide

N-[[hydroxymethyl(2-methylprop-2-enoyl)amino]methyl]-2-methylprop-2-enamide (PubChem CID 21330966) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is N-[[hydroxymethyl(2-methylprop-2-enoyl)amino]methyl]-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-[[hydroxymethyl(2-methylprop-2-enoyl)amino]methyl]-2-methylprop-2-enamide
PubChem CID21330966
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC NameN-[[hydroxymethyl(2-methylprop-2-enoyl)amino]methyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCN(CO)C(=O)C(=C)C
InChIInChI=1S/C10H16N2O3/c1-7(2)9(14)11-5-12(6-13)10(15)8(3)4/h13H,1,3,5-6H2,2,4H3,(H,11,14)
InChIKeyUNUDFBFKUZRUNL-UHFFFAOYSA-N
XLogP-0.01
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-[2-[2-[3-methylbuta-1,3-dien-2-yl-[2-[2-methylprop-2-enoyl-[2-[2-methylprop-2-enoyl-[2-(2-methylprop-2-enoylamino)ethyl]amino]ethyl]amino]ethyl]amino]ethyl-(2-methylprop-2-enoyl)amino]ethyl]prop-2-enamide
CID 139439211
N-(hydroxymethyl)-N-(methoxymethyl)-2-methylprop-2-enamide
CID 19038709
N-[3-[2-[3-formamidopropyl(2-methylprop-2-enoyl)amino]ethyl-(2-methylprop-2-enoyl)amino]propyl]-2-methylprop-2-enamide
CID 145023747
2-methyl-N-[2-[methyl(2-methylprop-2-enoyl)amino]propyl]prop-2-enamide
CID 174986038
ethane;2-methyl-N-[2-(methylamino)ethyl]prop-2-enamide
CID 145071357
ethane;2-methyl-N-[2-[methyl(2-methylprop-2-enoyl)amino]propyl]prop-2-enamide
CID 174986037
N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-methylprop-2-enamide
CID 3018570
N-(hydroxymethyl)-2-methylprop-2-enamide;methyl prop-2-enoate
CID 158189106
N,N-bis(2-hydroxyethyl)-2-methylprop-2-enamide;2-methylprop-2-enamide
CID 175383713
N-[2-(2-hydroxyethylamino)ethyl]-2-methylprop-2-enamide
CID 87508731
2-methyl-N-propylprop-2-enamide;hydrobromide
CID 172725706
2-methyl-N-propylprop-2-enamide;hydrochloride
CID 87485783

Frequently Asked Questions

What is the IUPAC name of N-[[hydroxymethyl(2-methylprop-2-enoyl)amino]methyl]-2-methylprop-2-enamide?
The IUPAC name of N-[[hydroxymethyl(2-methylprop-2-enoyl)amino]methyl]-2-methylprop-2-enamide (CID 21330966) is N-[[hydroxymethyl(2-methylprop-2-enoyl)amino]methyl]-2-methylprop-2-enamide.
What is the SMILES notation for N-[[hydroxymethyl(2-methylprop-2-enoyl)amino]methyl]-2-methylprop-2-enamide?
The canonical SMILES for N-[[hydroxymethyl(2-methylprop-2-enoyl)amino]methyl]-2-methylprop-2-enamide is C=C(C)C(=O)NCN(CO)C(=O)C(=C)C.
What is the InChIKey of N-[[hydroxymethyl(2-methylprop-2-enoyl)amino]methyl]-2-methylprop-2-enamide?
The InChIKey is UNUDFBFKUZRUNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-7(2)9(14)11-5-12(6-13)10(15)8(3)4/h13H,1,3,5-6H2,2,4H3,(H,11,14).
What are the key properties of N-[[hydroxymethyl(2-methylprop-2-enoyl)amino]methyl]-2-methylprop-2-enamide?
N-[[hydroxymethyl(2-methylprop-2-enoyl)amino]methyl]-2-methylprop-2-enamide has a molecular weight of 212.25 g/mol, XLogP of -0.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[hydroxymethyl(2-methylprop-2-enoyl)amino]methyl]-2-methylprop-2-enamide is sourced from PubChem (CID 21330966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).