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

C8H15NO4 — CID 88526215

IUPACN-(2,2,2-trimethoxyethyl)prop-2-enamide
SMILESC=CC(=O)NCC(OC)(OC)OC
InChIInChI=1S/C8H15NO4/c1-5-7(10)9-6-8(11-2,12-3)13-4/h5H,1,6H2,2-4H3,(H,9,10)
InChIKeyIBSUDFZMDNAKEE-UHFFFAOYSA-N
MW189.21 g/mol
LogP-0.12
Rot. Bonds6

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

N-(2,2,2-trimethoxyethyl)prop-2-enamide (PubChem CID 88526215) has the molecular formula C8H15NO4 and a molecular weight of 189.21 g/mol. Its IUPAC name is N-(2,2,2-trimethoxyethyl)prop-2-enamide.

Molecular Properties

Compound NameN-(2,2,2-trimethoxyethyl)prop-2-enamide
PubChem CID88526215
Molecular FormulaC8H15NO4
Molecular Weight189.21 g/mol
Exact Mass189.10
IUPAC NameN-(2,2,2-trimethoxyethyl)prop-2-enamide
SMILESC=CC(=O)NCC(OC)(OC)OC
InChIInChI=1S/C8H15NO4/c1-5-7(10)9-6-8(11-2,12-3)13-4/h5H,1,6H2,2-4H3,(H,9,10)
InChIKeyIBSUDFZMDNAKEE-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
Acrylylglycine, methyl ester
CID 6429410
2-Propenamide, N-(2-ethoxyethyl)-
CID 11955395
N-(2-methoxyethyl)acrylamide
CID 11976962
N-[2-(2-methoxyethoxy)ethyl]acrylamide
CID 61849582
N-(2-ethoxy-1,3-dioxan-5-yl)prop-2-enamide
CID 102279284
N,N'-bisacryloyl-2,2-di-(2-aminoethoxy)propane
CID 15608862
N-(1,2,2-Trimethoxyethyl)-2-propenamide
CID 18690231
N-(2-butoxyethyl)prop-2-enamide
CID 18970995
N-(2-methoxyethyl)prop-2-enamide;bis(propan-2-one)
CID 19756748
2-(Prop-2-enoylamino)ethyl prop-2-ynyl carbonate
CID 19774716
N-(2-hydroxy-2,2-dimethoxyethyl)prop-2-enamide
CID 21838464

Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trimethoxyethyl)prop-2-enamide?
The IUPAC name of N-(2,2,2-trimethoxyethyl)prop-2-enamide (CID 88526215) is N-(2,2,2-trimethoxyethyl)prop-2-enamide.
What is the SMILES notation for N-(2,2,2-trimethoxyethyl)prop-2-enamide?
The canonical SMILES for N-(2,2,2-trimethoxyethyl)prop-2-enamide is C=CC(=O)NCC(OC)(OC)OC.
What is the InChIKey of N-(2,2,2-trimethoxyethyl)prop-2-enamide?
The InChIKey is IBSUDFZMDNAKEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO4/c1-5-7(10)9-6-8(11-2,12-3)13-4/h5H,1,6H2,2-4H3,(H,9,10).
What are the key properties of N-(2,2,2-trimethoxyethyl)prop-2-enamide?
N-(2,2,2-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-(2,2,2-trimethoxyethyl)prop-2-enamide is sourced from PubChem (CID 88526215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).