2-hydroxyethyl 2-methylprop-2-enoate;N-propan-2-ylprop-2-enamide

C12H21NO4 — CID 160992876

IUPAC2-hydroxyethyl 2-methylprop-2-enoate;N-propan-2-ylprop-2-enamide
SMILESC=C(C)C(=O)OCCO.C=CC(=O)NC(C)C
InChIInChI=1S/C6H11NO.C6H10O3/c1-4-6(8)7-5(2)3;1-5(2)6(8)9-4-3-7/h4-5H,1H2,2-3H3,(H,7,8);7H,1,3-4H2,2H3
InChIKeyTUWHYGXBDIPWRB-UHFFFAOYSA-N
MW243.30 g/mol
LogP0.80
Rot. Bonds5

About 2-hydroxyethyl 2-methylprop-2-enoate;N-propan-2-ylprop-2-enamide

2-hydroxyethyl 2-methylprop-2-enoate;N-propan-2-ylprop-2-enamide (PubChem CID 160992876) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is 2-hydroxyethyl 2-methylprop-2-enoate;N-propan-2-ylprop-2-enamide.

Molecular Properties

Compound Name2-hydroxyethyl 2-methylprop-2-enoate;N-propan-2-ylprop-2-enamide
PubChem CID160992876
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Name2-hydroxyethyl 2-methylprop-2-enoate;N-propan-2-ylprop-2-enamide
SMILESC=C(C)C(=O)OCCO.C=CC(=O)NC(C)C
InChIInChI=1S/C6H11NO.C6H10O3/c1-4-6(8)7-5(2)3;1-5(2)6(8)9-4-3-7/h4-5H,1H2,2-3H3,(H,7,8);7H,1,3-4H2,2H3
InChIKeyTUWHYGXBDIPWRB-UHFFFAOYSA-N
XLogP0.80
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 2-hydroxyethyl 2-methylprop-2-enoate;N-propan-2-ylprop-2-enamide?
The IUPAC name of 2-hydroxyethyl 2-methylprop-2-enoate;N-propan-2-ylprop-2-enamide (CID 160992876) is 2-hydroxyethyl 2-methylprop-2-enoate;N-propan-2-ylprop-2-enamide.
What is the SMILES notation for 2-hydroxyethyl 2-methylprop-2-enoate;N-propan-2-ylprop-2-enamide?
The canonical SMILES for 2-hydroxyethyl 2-methylprop-2-enoate;N-propan-2-ylprop-2-enamide is C=C(C)C(=O)OCCO.C=CC(=O)NC(C)C.
What is the InChIKey of 2-hydroxyethyl 2-methylprop-2-enoate;N-propan-2-ylprop-2-enamide?
The InChIKey is TUWHYGXBDIPWRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO.C6H10O3/c1-4-6(8)7-5(2)3;1-5(2)6(8)9-4-3-7/h4-5H,1H2,2-3H3,(H,7,8);7H,1,3-4H2,2H3.
What are the key properties of 2-hydroxyethyl 2-methylprop-2-enoate;N-propan-2-ylprop-2-enamide?
2-hydroxyethyl 2-methylprop-2-enoate;N-propan-2-ylprop-2-enamide has a molecular weight of 243.30 g/mol, XLogP of 0.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl 2-methylprop-2-enoate;N-propan-2-ylprop-2-enamide is sourced from PubChem (CID 160992876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).