2-hydroxyethyl prop-2-enoate;2-methyl-N-propan-2-ylprop-2-enamide

C12H21NO4 — CID 87741265

IUPAC2-hydroxyethyl prop-2-enoate;2-methyl-N-propan-2-ylprop-2-enamide
SMILESC=C(C)C(=O)NC(C)C.C=CC(=O)OCCO
InChIInChI=1S/C7H13NO.C5H8O3/c1-5(2)7(9)8-6(3)4;1-2-5(7)8-4-3-6/h6H,1H2,2-4H3,(H,8,9);2,6H,1,3-4H2
InChIKeyQWSKJXXQZPRGQD-UHFFFAOYSA-N
MW243.30 g/mol
LogP0.80
Rot. Bonds5

About 2-hydroxyethyl prop-2-enoate;2-methyl-N-propan-2-ylprop-2-enamide

2-hydroxyethyl prop-2-enoate;2-methyl-N-propan-2-ylprop-2-enamide (PubChem CID 87741265) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is 2-hydroxyethyl prop-2-enoate;2-methyl-N-propan-2-ylprop-2-enamide.

Molecular Properties

Compound Name2-hydroxyethyl prop-2-enoate;2-methyl-N-propan-2-ylprop-2-enamide
PubChem CID87741265
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Name2-hydroxyethyl prop-2-enoate;2-methyl-N-propan-2-ylprop-2-enamide
SMILESC=C(C)C(=O)NC(C)C.C=CC(=O)OCCO
InChIInChI=1S/C7H13NO.C5H8O3/c1-5(2)7(9)8-6(3)4;1-2-5(7)8-4-3-6/h6H,1H2,2-4H3,(H,8,9);2,6H,1,3-4H2
InChIKeyQWSKJXXQZPRGQD-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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Related Compounds

butyl 2-methylprop-2-enoate;N-propan-2-ylprop-2-enamide;prop-2-enoic acid
CID 153949
ethyl prop-2-enoate;N-(hydroxymethyl)prop-2-enamide;methyl 2-methylprop-2-enoate
CID 168243
poly(N-isopropylacrylamide-co-butyl methacrylate)
CID 3082631
butyl 2-methylprop-2-enoate;N-propan-2-ylprop-2-enamide
CID 87343876
Dmapma hema
CID 87665647
2-hydroxyethyl 2-methylprop-2-enoate;N-(hydroxymethyl)prop-2-enamide;methyl 2-methylprop-2-enoate
CID 88203648
2-hydroxyethyl prop-2-enoate;N-propan-2-ylprop-2-enamide
CID 146464762
2-hydroxyethyl 2-methylprop-2-enoate;N-(hydroxymethyl)prop-2-enamide
CID 160497221
2-hydroxyethyl 2-methylprop-2-enoate;N-propan-2-ylprop-2-enamide
CID 160992876
oxiran-2-ylmethyl 2-methylprop-2-enoate;N-propan-2-ylprop-2-enamide
CID 172792915
2-(tert-butylamino)ethyl 2-methylprop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate;N-propan-2-ylprop-2-enamide
CID 6455602
N-isopropylacrylamide-2-hydroxyethylmethacrylate
CID 134692228

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl prop-2-enoate;2-methyl-N-propan-2-ylprop-2-enamide?
The IUPAC name of 2-hydroxyethyl prop-2-enoate;2-methyl-N-propan-2-ylprop-2-enamide (CID 87741265) is 2-hydroxyethyl prop-2-enoate;2-methyl-N-propan-2-ylprop-2-enamide.
What is the SMILES notation for 2-hydroxyethyl prop-2-enoate;2-methyl-N-propan-2-ylprop-2-enamide?
The canonical SMILES for 2-hydroxyethyl prop-2-enoate;2-methyl-N-propan-2-ylprop-2-enamide is C=C(C)C(=O)NC(C)C.C=CC(=O)OCCO.
What is the InChIKey of 2-hydroxyethyl prop-2-enoate;2-methyl-N-propan-2-ylprop-2-enamide?
The InChIKey is QWSKJXXQZPRGQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO.C5H8O3/c1-5(2)7(9)8-6(3)4;1-2-5(7)8-4-3-6/h6H,1H2,2-4H3,(H,8,9);2,6H,1,3-4H2.
What are the key properties of 2-hydroxyethyl prop-2-enoate;2-methyl-N-propan-2-ylprop-2-enamide?
2-hydroxyethyl prop-2-enoate;2-methyl-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 prop-2-enoate;2-methyl-N-propan-2-ylprop-2-enamide is sourced from PubChem (CID 87741265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).