N-[1-(1-hydroxyethoxy)ethyl]prop-2-enamide

C7H13NO3 — CID 18760971

IUPACN-[1-(1-hydroxyethoxy)ethyl]prop-2-enamide
SMILESC=CC(=O)NC(C)OC(C)O
InChIInChI=1S/C7H13NO3/c1-4-7(10)8-5(2)11-6(3)9/h4-6,9H,1H2,2-3H3,(H,8,10)
InChIKeyOSOPHZZMQMMKQZ-UHFFFAOYSA-N
MW159.18 g/mol
LogP-0.01
Rot. Bonds4

About N-[1-(1-hydroxyethoxy)ethyl]prop-2-enamide

N-[1-(1-hydroxyethoxy)ethyl]prop-2-enamide (PubChem CID 18760971) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is N-[1-(1-hydroxyethoxy)ethyl]prop-2-enamide.

Molecular Properties

Compound NameN-[1-(1-hydroxyethoxy)ethyl]prop-2-enamide
PubChem CID18760971
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC NameN-[1-(1-hydroxyethoxy)ethyl]prop-2-enamide
SMILESC=CC(=O)NC(C)OC(C)O
InChIInChI=1S/C7H13NO3/c1-4-7(10)8-5(2)11-6(3)9/h4-6,9H,1H2,2-3H3,(H,8,10)
InChIKeyOSOPHZZMQMMKQZ-UHFFFAOYSA-N
XLogP-0.01
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 ≤ 5-0.01
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-Hydroxyethyl)-2-propenamide
CID 21868074
N-[2-(1-hydroxyethoxy)ethyl]prop-2-enamide
CID 23167369
N-(2-ethoxy-2-hydroxyethyl)prop-2-enamide
CID 18477248
N-[hydroxy(methoxy)methyl]prop-2-enamide
CID 18690255
N-(1-ethoxyethyl)prop-2-enamide
CID 19100516
N-[1-(2-hydroxyethoxy)ethyl]prop-2-enamide
CID 21951046
N-(1-ethoxy-1-hydroxyethyl)prop-2-enamide
CID 22256087
N-[hydroxy(2-methylpropoxy)methyl]prop-2-enamide
CID 23187927
N-[butoxy(hydroxy)methyl]prop-2-enamide
CID 54007128
N-[ethoxy(hydroxy)methyl]prop-2-enamide
CID 54426891
N-(2-hydroxy-2-methoxyethyl)prop-2-enamide
CID 57082602
N-[(1S)-1-hydroxyethyl]prop-2-enamide
CID 59985905

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-hydroxyethoxy)ethyl]prop-2-enamide?
The IUPAC name of N-[1-(1-hydroxyethoxy)ethyl]prop-2-enamide (CID 18760971) is N-[1-(1-hydroxyethoxy)ethyl]prop-2-enamide.
What is the SMILES notation for N-[1-(1-hydroxyethoxy)ethyl]prop-2-enamide?
The canonical SMILES for N-[1-(1-hydroxyethoxy)ethyl]prop-2-enamide is C=CC(=O)NC(C)OC(C)O.
What is the InChIKey of N-[1-(1-hydroxyethoxy)ethyl]prop-2-enamide?
The InChIKey is OSOPHZZMQMMKQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c1-4-7(10)8-5(2)11-6(3)9/h4-6,9H,1H2,2-3H3,(H,8,10).
What are the key properties of N-[1-(1-hydroxyethoxy)ethyl]prop-2-enamide?
N-[1-(1-hydroxyethoxy)ethyl]prop-2-enamide has a molecular weight of 159.18 g/mol, XLogP of -0.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-hydroxyethoxy)ethyl]prop-2-enamide is sourced from PubChem (CID 18760971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).