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

C6H11NO3 — CID 54426891

IUPACN-[ethoxy(hydroxy)methyl]prop-2-enamide
SMILESC=CC(=O)NC(O)OCC
InChIInChI=1S/C6H11NO3/c1-3-5(8)7-6(9)10-4-2/h3,6,9H,1,4H2,2H3,(H,7,8)
InChIKeyWESQOIXRUCARCM-UHFFFAOYSA-N
MW145.16 g/mol
LogP-0.40
Rot. Bonds4

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

N-[ethoxy(hydroxy)methyl]prop-2-enamide (PubChem CID 54426891) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is N-[ethoxy(hydroxy)methyl]prop-2-enamide.

Molecular Properties

Compound NameN-[ethoxy(hydroxy)methyl]prop-2-enamide
PubChem CID54426891
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC NameN-[ethoxy(hydroxy)methyl]prop-2-enamide
SMILESC=CC(=O)NC(O)OCC
InChIInChI=1S/C6H11NO3/c1-3-5(8)7-6(9)10-4-2/h3,6,9H,1,4H2,2H3,(H,7,8)
InChIKeyWESQOIXRUCARCM-UHFFFAOYSA-N
XLogP-0.40
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 5-0.40
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

ethyl 2-hydroxy-2-(prop-2-enoylamino)acetate;methoxymethane
CID 18997976
butyl 2-ethoxy-2-(prop-2-enoylamino)acetate
CID 57016088
N-(1,2-dihydroxybutyl)prop-2-enamide
CID 174879831
N-[(1S)-1-hydroxyethyl]prop-2-enamide
CID 59985905
N-[1,2-dihydroxy-2-(methylamino)ethyl]prop-2-enamide
CID 144596599
N-(4-hydroxyhexan-3-yl)prop-2-enamide
CID 176975317
N-[(2S)-1,2-dihydroxy-2-(prop-2-enoylamino)ethyl]prop-2-enamide
CID 129044406
N-(ethoxymethyl)prop-2-enamide;N-propan-2-ylprop-2-enamide
CID 87880276
sodium N-propan-2-ylprop-2-enamide
CID 19004870
N-[(2S)-1-methoxypropan-2-yl]prop-2-enamide
CID 118137430
2-(prop-2-enoylamino)pentanoic acid
CID 18798141
methyl 3-(prop-2-enoylamino)butanoate
CID 139498956

Frequently Asked Questions

What is the IUPAC name of N-[ethoxy(hydroxy)methyl]prop-2-enamide?
The IUPAC name of N-[ethoxy(hydroxy)methyl]prop-2-enamide (CID 54426891) is N-[ethoxy(hydroxy)methyl]prop-2-enamide.
What is the SMILES notation for N-[ethoxy(hydroxy)methyl]prop-2-enamide?
The canonical SMILES for N-[ethoxy(hydroxy)methyl]prop-2-enamide is C=CC(=O)NC(O)OCC.
What is the InChIKey of N-[ethoxy(hydroxy)methyl]prop-2-enamide?
The InChIKey is WESQOIXRUCARCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3/c1-3-5(8)7-6(9)10-4-2/h3,6,9H,1,4H2,2H3,(H,7,8).
What are the key properties of N-[ethoxy(hydroxy)methyl]prop-2-enamide?
N-[ethoxy(hydroxy)methyl]prop-2-enamide has a molecular weight of 145.16 g/mol, XLogP of -0.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[ethoxy(hydroxy)methyl]prop-2-enamide is sourced from PubChem (CID 54426891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).