N-(1-hydroxy-2-methoxypropan-2-yl)prop-2-enamide

C7H13NO3 — CID 141308760

IUPACN-(1-hydroxy-2-methoxypropan-2-yl)prop-2-enamide
SMILESC=CC(=O)NC(C)(CO)OC
InChIInChI=1S/C7H13NO3/c1-4-6(10)8-7(2,5-9)11-3/h4,9H,1,5H2,2-3H3,(H,8,10)
InChIKeyFBWBOXVXSGNMIY-UHFFFAOYSA-N
MW159.18 g/mol
LogP-0.36
Rot. Bonds4

About N-(1-hydroxy-2-methoxypropan-2-yl)prop-2-enamide

N-(1-hydroxy-2-methoxypropan-2-yl)prop-2-enamide (PubChem CID 141308760) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is N-(1-hydroxy-2-methoxypropan-2-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(1-hydroxy-2-methoxypropan-2-yl)prop-2-enamide
PubChem CID141308760
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC NameN-(1-hydroxy-2-methoxypropan-2-yl)prop-2-enamide
SMILESC=CC(=O)NC(C)(CO)OC
InChIInChI=1S/C7H13NO3/c1-4-6(10)8-7(2,5-9)11-3/h4,9H,1,5H2,2-3H3,(H,8,10)
InChIKeyFBWBOXVXSGNMIY-UHFFFAOYSA-N
XLogP-0.36
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(1,2,3-trihydroxypropan-2-yl)prop-2-enamide
CID 21657095
N-(2-hydroxy-1,1-dimethoxyethyl)prop-2-enamide
CID 54477792
N-(1,2,3-trihydroxybutan-2-yl)prop-2-enamide
CID 87232453
N-(1,1,2-trihydroxypropyl)prop-2-enamide
CID 88425694
N-(2-hydroxy-1-methoxyethyl)prop-2-enamide
CID 141301333

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-2-methoxypropan-2-yl)prop-2-enamide?
The IUPAC name of N-(1-hydroxy-2-methoxypropan-2-yl)prop-2-enamide (CID 141308760) is N-(1-hydroxy-2-methoxypropan-2-yl)prop-2-enamide.
What is the SMILES notation for N-(1-hydroxy-2-methoxypropan-2-yl)prop-2-enamide?
The canonical SMILES for N-(1-hydroxy-2-methoxypropan-2-yl)prop-2-enamide is C=CC(=O)NC(C)(CO)OC.
What is the InChIKey of N-(1-hydroxy-2-methoxypropan-2-yl)prop-2-enamide?
The InChIKey is FBWBOXVXSGNMIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c1-4-6(10)8-7(2,5-9)11-3/h4,9H,1,5H2,2-3H3,(H,8,10).
What are the key properties of N-(1-hydroxy-2-methoxypropan-2-yl)prop-2-enamide?
N-(1-hydroxy-2-methoxypropan-2-yl)prop-2-enamide has a molecular weight of 159.18 g/mol, XLogP of -0.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-2-methoxypropan-2-yl)prop-2-enamide is sourced from PubChem (CID 141308760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).