N-(1,1-dihydroxy-2,2-dimethoxyethyl)-2-methylprop-2-enamide

C8H15NO5 — CID 22034982

IUPACN-(1,1-dihydroxy-2,2-dimethoxyethyl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NC(O)(O)C(OC)OC
InChIInChI=1S/C8H15NO5/c1-5(2)6(10)9-8(11,12)7(13-3)14-4/h7,11-12H,1H2,2-4H3,(H,9,10)
InChIKeyQHDMKVAKOVGQOQ-UHFFFAOYSA-N
MW205.21 g/mol
LogP-1.06
Rot. Bonds5

About N-(1,1-dihydroxy-2,2-dimethoxyethyl)-2-methylprop-2-enamide

N-(1,1-dihydroxy-2,2-dimethoxyethyl)-2-methylprop-2-enamide (PubChem CID 22034982) has the molecular formula C8H15NO5 and a molecular weight of 205.21 g/mol. Its IUPAC name is N-(1,1-dihydroxy-2,2-dimethoxyethyl)-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-(1,1-dihydroxy-2,2-dimethoxyethyl)-2-methylprop-2-enamide
PubChem CID22034982
Molecular FormulaC8H15NO5
Molecular Weight205.21 g/mol
Exact Mass205.10
IUPAC NameN-(1,1-dihydroxy-2,2-dimethoxyethyl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NC(O)(O)C(OC)OC
InChIInChI=1S/C8H15NO5/c1-5(2)6(10)9-8(11,12)7(13-3)14-4/h7,11-12H,1H2,2-4H3,(H,9,10)
InChIKeyQHDMKVAKOVGQOQ-UHFFFAOYSA-N
XLogP-1.06
TPSA88.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 5-1.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dihydroxy-2,2-dimethoxyethyl)-2-methylprop-2-enamide?
The IUPAC name of N-(1,1-dihydroxy-2,2-dimethoxyethyl)-2-methylprop-2-enamide (CID 22034982) is N-(1,1-dihydroxy-2,2-dimethoxyethyl)-2-methylprop-2-enamide.
What is the SMILES notation for N-(1,1-dihydroxy-2,2-dimethoxyethyl)-2-methylprop-2-enamide?
The canonical SMILES for N-(1,1-dihydroxy-2,2-dimethoxyethyl)-2-methylprop-2-enamide is C=C(C)C(=O)NC(O)(O)C(OC)OC.
What is the InChIKey of N-(1,1-dihydroxy-2,2-dimethoxyethyl)-2-methylprop-2-enamide?
The InChIKey is QHDMKVAKOVGQOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO5/c1-5(2)6(10)9-8(11,12)7(13-3)14-4/h7,11-12H,1H2,2-4H3,(H,9,10).
What are the key properties of N-(1,1-dihydroxy-2,2-dimethoxyethyl)-2-methylprop-2-enamide?
N-(1,1-dihydroxy-2,2-dimethoxyethyl)-2-methylprop-2-enamide has a molecular weight of 205.21 g/mol, XLogP of -1.06, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dihydroxy-2,2-dimethoxyethyl)-2-methylprop-2-enamide is sourced from PubChem (CID 22034982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).