2-methyl-N-(1,2,2-trimethoxyethyl)prop-2-enamide

C9H17NO4 — CID 18690232

IUPAC2-methyl-N-(1,2,2-trimethoxyethyl)prop-2-enamide
SMILESC=C(C)C(=O)NC(OC)C(OC)OC
InChIInChI=1S/C9H17NO4/c1-6(2)7(11)10-8(12-3)9(13-4)14-5/h8-9H,1H2,2-5H3,(H,10,11)
InChIKeyJRIDTTRQXBIPKK-UHFFFAOYSA-N
MW203.24 g/mol
LogP0.27
Rot. Bonds6

About 2-methyl-N-(1,2,2-trimethoxyethyl)prop-2-enamide

2-methyl-N-(1,2,2-trimethoxyethyl)prop-2-enamide (PubChem CID 18690232) has the molecular formula C9H17NO4 and a molecular weight of 203.24 g/mol. Its IUPAC name is 2-methyl-N-(1,2,2-trimethoxyethyl)prop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-(1,2,2-trimethoxyethyl)prop-2-enamide
PubChem CID18690232
Molecular FormulaC9H17NO4
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC Name2-methyl-N-(1,2,2-trimethoxyethyl)prop-2-enamide
SMILESC=C(C)C(=O)NC(OC)C(OC)OC
InChIInChI=1S/C9H17NO4/c1-6(2)7(11)10-8(12-3)9(13-4)14-5/h8-9H,1H2,2-5H3,(H,10,11)
InChIKeyJRIDTTRQXBIPKK-UHFFFAOYSA-N
XLogP0.27
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

N-(2,2-Dimethoxyethyl)methacrylamide
CID 3024509
N-[2-(2-methoxyethoxy)ethyl]-2-methylprop-2-enamide
CID 15332975
N-(1,2,2-Trimethoxyethyl)-2-propenamide
CID 18690231
N-(2,2-dibutoxy-1-hydroxyethyl)-2-methylprop-2-enamide
CID 18690233
N-(1-hydroxy-2,2-dimethoxyethyl)-2-methylprop-2-enamide
CID 18690236
2-methyl-N-(1,2,2-tributoxyethyl)prop-2-enamide
CID 18690241
N-(2-acetoxymethoxycarbonyloxypropyl)methacrylamide
CID 19063413
N-[2-(1-acetoxyethoxycarbonyloxy)propyl]methacrylamide
CID 19063417
N-(1,1-diethoxypropan-2-yl)-2-methylprop-2-enamide
CID 19376123
N-(3,3-dimethoxypropyl)-2-methylprop-2-enamide
CID 21253695
N-(1,1-dimethoxypropan-2-yl)-2-methylprop-2-enamide
CID 21909751
N-(1,1-dihydroxy-2,2-dimethoxyethyl)-2-methylprop-2-enamide
CID 22034982

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(1,2,2-trimethoxyethyl)prop-2-enamide?
The IUPAC name of 2-methyl-N-(1,2,2-trimethoxyethyl)prop-2-enamide (CID 18690232) is 2-methyl-N-(1,2,2-trimethoxyethyl)prop-2-enamide.
What is the SMILES notation for 2-methyl-N-(1,2,2-trimethoxyethyl)prop-2-enamide?
The canonical SMILES for 2-methyl-N-(1,2,2-trimethoxyethyl)prop-2-enamide is C=C(C)C(=O)NC(OC)C(OC)OC.
What is the InChIKey of 2-methyl-N-(1,2,2-trimethoxyethyl)prop-2-enamide?
The InChIKey is JRIDTTRQXBIPKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4/c1-6(2)7(11)10-8(12-3)9(13-4)14-5/h8-9H,1H2,2-5H3,(H,10,11).
What are the key properties of 2-methyl-N-(1,2,2-trimethoxyethyl)prop-2-enamide?
2-methyl-N-(1,2,2-trimethoxyethyl)prop-2-enamide has a molecular weight of 203.24 g/mol, XLogP of 0.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1,2,2-trimethoxyethyl)prop-2-enamide is sourced from PubChem (CID 18690232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).