3-ethoxy-3-hydroxy-2-methyl-N-(2-methylprop-2-enoyl)prop-2-enamide

C10H15NO4 — CID 174962004

IUPAC3-ethoxy-3-hydroxy-2-methyl-N-(2-methylprop-2-enoyl)prop-2-enamide
SMILESC=C(C)C(=O)NC(=O)C(C)=C(O)OCC
InChIInChI=1S/C10H15NO4/c1-5-15-10(14)7(4)9(13)11-8(12)6(2)3/h14H,2,5H2,1,3-4H3,(H,11,12,13)
InChIKeyLEJHZGWFCZRUJP-UHFFFAOYSA-N
MW213.23 g/mol
LogP1.03
Rot. Bonds4

About 3-ethoxy-3-hydroxy-2-methyl-N-(2-methylprop-2-enoyl)prop-2-enamide

3-ethoxy-3-hydroxy-2-methyl-N-(2-methylprop-2-enoyl)prop-2-enamide (PubChem CID 174962004) has the molecular formula C10H15NO4 and a molecular weight of 213.23 g/mol. Its IUPAC name is 3-ethoxy-3-hydroxy-2-methyl-N-(2-methylprop-2-enoyl)prop-2-enamide.

Molecular Properties

Compound Name3-ethoxy-3-hydroxy-2-methyl-N-(2-methylprop-2-enoyl)prop-2-enamide
PubChem CID174962004
Molecular FormulaC10H15NO4
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name3-ethoxy-3-hydroxy-2-methyl-N-(2-methylprop-2-enoyl)prop-2-enamide
SMILESC=C(C)C(=O)NC(=O)C(C)=C(O)OCC
InChIInChI=1S/C10H15NO4/c1-5-15-10(14)7(4)9(13)11-8(12)6(2)3/h14H,2,5H2,1,3-4H3,(H,11,12,13)
InChIKeyLEJHZGWFCZRUJP-UHFFFAOYSA-N
XLogP1.03
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2,3-dimethyl-N-(2-methylprop-2-enoyl)but-2-enamide
CID 175801770
N-(1-hydroxyethenyl)-2-methylprop-2-enamide
CID 174577557
ethyl 2-(2-methylprop-2-enoylamino)propanoate
CID 86135895
ethyl 2-methylprop-2-enoate
CID 130475774
2-methyl-N-[N-(2-methylprop-2-enoyl)carbamimidoyl]prop-2-enamide
CID 154307260
(2E)-4-ethoxycarbonyl-2,3-dimethylpenta-2,4-dienoic acid
CID 142694353
2-methyl-N-(2-methylprop-2-enoylcarbamoyl)prop-2-enamide
CID 14817903
1-O-ethyl 2-O-[2-(2-methylprop-2-enoylamino)ethyl] oxalate
CID 118147420
ethyl 2-methoxy-2-(2-methylprop-2-enoylamino)acetate
CID 139839908
ethane;bis(ethyl 2-methylprop-2-enoate)
CID 146295289
ethyl 2-methylprop-2-enoate;phosphane
CID 159151613
sodium ethyl 2-methylprop-2-enoate
CID 23346885

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-3-hydroxy-2-methyl-N-(2-methylprop-2-enoyl)prop-2-enamide?
The IUPAC name of 3-ethoxy-3-hydroxy-2-methyl-N-(2-methylprop-2-enoyl)prop-2-enamide (CID 174962004) is 3-ethoxy-3-hydroxy-2-methyl-N-(2-methylprop-2-enoyl)prop-2-enamide.
What is the SMILES notation for 3-ethoxy-3-hydroxy-2-methyl-N-(2-methylprop-2-enoyl)prop-2-enamide?
The canonical SMILES for 3-ethoxy-3-hydroxy-2-methyl-N-(2-methylprop-2-enoyl)prop-2-enamide is C=C(C)C(=O)NC(=O)C(C)=C(O)OCC.
What is the InChIKey of 3-ethoxy-3-hydroxy-2-methyl-N-(2-methylprop-2-enoyl)prop-2-enamide?
The InChIKey is LEJHZGWFCZRUJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4/c1-5-15-10(14)7(4)9(13)11-8(12)6(2)3/h14H,2,5H2,1,3-4H3,(H,11,12,13).
What are the key properties of 3-ethoxy-3-hydroxy-2-methyl-N-(2-methylprop-2-enoyl)prop-2-enamide?
3-ethoxy-3-hydroxy-2-methyl-N-(2-methylprop-2-enoyl)prop-2-enamide has a molecular weight of 213.23 g/mol, XLogP of 1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-3-hydroxy-2-methyl-N-(2-methylprop-2-enoyl)prop-2-enamide is sourced from PubChem (CID 174962004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).