N-(2-hydroxy-1,1-dimethoxyethyl)prop-2-enamide

C7H13NO4 — CID 54477792

IUPACN-(2-hydroxy-1,1-dimethoxyethyl)prop-2-enamide
SMILESC=CC(=O)NC(CO)(OC)OC
InChIInChI=1S/C7H13NO4/c1-4-6(10)8-7(5-9,11-2)12-3/h4,9H,1,5H2,2-3H3,(H,8,10)
InChIKeyXMUPRMNQEHKQBE-UHFFFAOYSA-N
MW175.18 g/mol
LogP-0.77
Rot. Bonds5

About N-(2-hydroxy-1,1-dimethoxyethyl)prop-2-enamide

N-(2-hydroxy-1,1-dimethoxyethyl)prop-2-enamide (PubChem CID 54477792) has the molecular formula C7H13NO4 and a molecular weight of 175.18 g/mol. Its IUPAC name is N-(2-hydroxy-1,1-dimethoxyethyl)prop-2-enamide.

Molecular Properties

Compound NameN-(2-hydroxy-1,1-dimethoxyethyl)prop-2-enamide
PubChem CID54477792
Molecular FormulaC7H13NO4
Molecular Weight175.18 g/mol
Exact Mass175.08
IUPAC NameN-(2-hydroxy-1,1-dimethoxyethyl)prop-2-enamide
SMILESC=CC(=O)NC(CO)(OC)OC
InChIInChI=1S/C7H13NO4/c1-4-6(10)8-7(5-9,11-2)12-3/h4,9H,1,5H2,2-3H3,(H,8,10)
InChIKeyXMUPRMNQEHKQBE-UHFFFAOYSA-N
XLogP-0.77
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.18
LogP ≤ 5-0.77
H-Bond Donors ≤ 52
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-(1-hydroxy-2,2-dimethoxyethyl)prop-2-enamide
CID 4192512
N-(1,1,2-trimethoxyethyl)prop-2-enamide
CID 21611861
N-(1,1,2-trihydroxypropyl)prop-2-enamide
CID 88425694
N-(1-hydroxy-2-methoxypropan-2-yl)prop-2-enamide
CID 141308760
N-[(1S)-1-hydroxy-2,2-dimethoxyethyl]prop-2-enamide
CID 40418392
N-[(1R)-1-hydroxy-2,2-dimethoxyethyl]prop-2-enamide
CID 40501200

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-1,1-dimethoxyethyl)prop-2-enamide?
The IUPAC name of N-(2-hydroxy-1,1-dimethoxyethyl)prop-2-enamide (CID 54477792) is N-(2-hydroxy-1,1-dimethoxyethyl)prop-2-enamide.
What is the SMILES notation for N-(2-hydroxy-1,1-dimethoxyethyl)prop-2-enamide?
The canonical SMILES for N-(2-hydroxy-1,1-dimethoxyethyl)prop-2-enamide is C=CC(=O)NC(CO)(OC)OC.
What is the InChIKey of N-(2-hydroxy-1,1-dimethoxyethyl)prop-2-enamide?
The InChIKey is XMUPRMNQEHKQBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO4/c1-4-6(10)8-7(5-9,11-2)12-3/h4,9H,1,5H2,2-3H3,(H,8,10).
What are the key properties of N-(2-hydroxy-1,1-dimethoxyethyl)prop-2-enamide?
N-(2-hydroxy-1,1-dimethoxyethyl)prop-2-enamide has a molecular weight of 175.18 g/mol, XLogP of -0.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-1,1-dimethoxyethyl)prop-2-enamide is sourced from PubChem (CID 54477792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).