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

C8H15NO4 — CID 18690231

IUPACN-(1,2,2-trimethoxyethyl)prop-2-enamide
SMILESC=CC(=O)NC(OC)C(OC)OC
InChIInChI=1S/C8H15NO4/c1-5-6(10)9-7(11-2)8(12-3)13-4/h5,7-8H,1H2,2-4H3,(H,9,10)
InChIKeyKAEIFTQQDBDXIW-UHFFFAOYSA-N
MW189.21 g/mol
LogP-0.12
Rot. Bonds6

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

N-(1,2,2-trimethoxyethyl)prop-2-enamide (PubChem CID 18690231) has the molecular formula C8H15NO4 and a molecular weight of 189.21 g/mol. Its IUPAC name is N-(1,2,2-trimethoxyethyl)prop-2-enamide.

Molecular Properties

Compound NameN-(1,2,2-trimethoxyethyl)prop-2-enamide
PubChem CID18690231
Molecular FormulaC8H15NO4
Molecular Weight189.21 g/mol
Exact Mass189.10
IUPAC NameN-(1,2,2-trimethoxyethyl)prop-2-enamide
SMILESC=CC(=O)NC(OC)C(OC)OC
InChIInChI=1S/C8H15NO4/c1-5-6(10)9-7(11-2)8(12-3)13-4/h5,7-8H,1H2,2-4H3,(H,9,10)
InChIKeyKAEIFTQQDBDXIW-UHFFFAOYSA-N
XLogP-0.12
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 5-0.12
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)-2-propenamide
CID 9898899
N-[2-(2-methoxyethoxy)ethyl]acrylamide
CID 61849582
2-[2-[2-[2-(prop-2-enoylamino)ethoxy]ethoxy]ethoxy]ethyl N-methylcarbamate
CID 176433411
N-(1-hydroxy-2,2-dimethoxyethyl)prop-2-enamide
CID 4192512
N-(2,2-Diethoxy-1-hydroxyethyl)prop-2-enamide
CID 13982975
N-(1,2,2-Triethoxyethyl)prop-2-enamide
CID 13982976
Acrylamidobutyraldehyde Dimethyl Acetal
CID 18520795
2-methyl-N-(1,2,2-trimethoxyethyl)prop-2-enamide
CID 18690232
N-(1,2,2-tributoxyethyl)prop-2-enamide
CID 18690235
N-(2,2-dibutoxy-1-hydroxyethyl)prop-2-enamide
CID 18690240
N-(1,1,2-trimethoxyethyl)prop-2-enamide
CID 21611861
N-[2-[2-(prop-2-enoylamino)ethoxymethoxy]ethyl]prop-2-enamide
CID 54150359

Frequently Asked Questions

What is the IUPAC name of N-(1,2,2-trimethoxyethyl)prop-2-enamide?
The IUPAC name of N-(1,2,2-trimethoxyethyl)prop-2-enamide (CID 18690231) is N-(1,2,2-trimethoxyethyl)prop-2-enamide.
What is the SMILES notation for N-(1,2,2-trimethoxyethyl)prop-2-enamide?
The canonical SMILES for N-(1,2,2-trimethoxyethyl)prop-2-enamide is C=CC(=O)NC(OC)C(OC)OC.
What is the InChIKey of N-(1,2,2-trimethoxyethyl)prop-2-enamide?
The InChIKey is KAEIFTQQDBDXIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO4/c1-5-6(10)9-7(11-2)8(12-3)13-4/h5,7-8H,1H2,2-4H3,(H,9,10).
What are the key properties of N-(1,2,2-trimethoxyethyl)prop-2-enamide?
N-(1,2,2-trimethoxyethyl)prop-2-enamide has a molecular weight of 189.21 g/mol, XLogP of -0.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,2-trimethoxyethyl)prop-2-enamide is sourced from PubChem (CID 18690231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).