N-[hydroxy(2-methylpropoxy)methyl]prop-2-enamide

C8H15NO3 — CID 23187927

IUPACN-[hydroxy(2-methylpropoxy)methyl]prop-2-enamide
SMILESC=CC(=O)NC(O)OCC(C)C
InChIInChI=1S/C8H15NO3/c1-4-7(10)9-8(11)12-5-6(2)3/h4,6,8,11H,1,5H2,2-3H3,(H,9,10)
InChIKeyBBDXEDDPHHVEPB-UHFFFAOYSA-N
MW173.21 g/mol
LogP0.24
Rot. Bonds5

About N-[hydroxy(2-methylpropoxy)methyl]prop-2-enamide

N-[hydroxy(2-methylpropoxy)methyl]prop-2-enamide (PubChem CID 23187927) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is N-[hydroxy(2-methylpropoxy)methyl]prop-2-enamide.

Molecular Properties

Compound NameN-[hydroxy(2-methylpropoxy)methyl]prop-2-enamide
PubChem CID23187927
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC NameN-[hydroxy(2-methylpropoxy)methyl]prop-2-enamide
SMILESC=CC(=O)NC(O)OCC(C)C
InChIInChI=1S/C8H15NO3/c1-4-7(10)9-8(11)12-5-6(2)3/h4,6,8,11H,1,5H2,2-3H3,(H,9,10)
InChIKeyBBDXEDDPHHVEPB-UHFFFAOYSA-N
XLogP0.24
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.24
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-(Isobutoxymethyl)acrylamide
CID 27979
N-(dibutoxymethyl)prop-2-enamide
CID 17916756
N-(diethoxymethyl)prop-2-enamide
CID 18326984
N-[hydroxy(methoxy)methyl]prop-2-enamide
CID 18690255
N-[1-(1-hydroxyethoxy)ethyl]prop-2-enamide
CID 18760971
ethane-1,2-diol;N-(2-methylpropoxymethyl)prop-2-enamide
CID 19063261
N-(hydroxymethyl)prop-2-enamide;2-methyl-1-(2-methylpropoxy)propane
CID 19738323
N-[hydroxy(2-methylpropoxy)methyl]-2-methylprop-2-enamide
CID 23292685
N-[butoxy(hydroxy)methyl]prop-2-enamide
CID 54007128
N-[ethoxy(hydroxy)methyl]prop-2-enamide
CID 54426891
N-[hydroxy-[hydroxy-(prop-2-enoylamino)methoxy]methyl]prop-2-enamide
CID 57140521
N-[ethoxy(methoxy)methyl]prop-2-enamide
CID 87520569

Frequently Asked Questions

What is the IUPAC name of N-[hydroxy(2-methylpropoxy)methyl]prop-2-enamide?
The IUPAC name of N-[hydroxy(2-methylpropoxy)methyl]prop-2-enamide (CID 23187927) is N-[hydroxy(2-methylpropoxy)methyl]prop-2-enamide.
What is the SMILES notation for N-[hydroxy(2-methylpropoxy)methyl]prop-2-enamide?
The canonical SMILES for N-[hydroxy(2-methylpropoxy)methyl]prop-2-enamide is C=CC(=O)NC(O)OCC(C)C.
What is the InChIKey of N-[hydroxy(2-methylpropoxy)methyl]prop-2-enamide?
The InChIKey is BBDXEDDPHHVEPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-4-7(10)9-8(11)12-5-6(2)3/h4,6,8,11H,1,5H2,2-3H3,(H,9,10).
What are the key properties of N-[hydroxy(2-methylpropoxy)methyl]prop-2-enamide?
N-[hydroxy(2-methylpropoxy)methyl]prop-2-enamide has a molecular weight of 173.21 g/mol, XLogP of 0.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[hydroxy(2-methylpropoxy)methyl]prop-2-enamide is sourced from PubChem (CID 23187927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).