N-[3-(2-hydroxyethoxy)propyl]prop-2-enamide

C8H15NO3 — CID 106305722

IUPACN-[3-(2-hydroxyethoxy)propyl]prop-2-enamide
SMILESC=CC(=O)NCCCOCCO
InChIInChI=1S/C8H15NO3/c1-2-8(11)9-4-3-6-12-7-5-10/h2,10H,1,3-7H2,(H,9,11)
InChIKeyGJTLVWHDESBBIU-UHFFFAOYSA-N
MW173.21 g/mol
LogP-0.31
Rot. Bonds7

About N-[3-(2-hydroxyethoxy)propyl]prop-2-enamide

N-[3-(2-hydroxyethoxy)propyl]prop-2-enamide (PubChem CID 106305722) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is N-[3-(2-hydroxyethoxy)propyl]prop-2-enamide.

Molecular Properties

Compound NameN-[3-(2-hydroxyethoxy)propyl]prop-2-enamide
PubChem CID106305722
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC NameN-[3-(2-hydroxyethoxy)propyl]prop-2-enamide
SMILESC=CC(=O)NCCCOCCO
InChIInChI=1S/C8H15NO3/c1-2-8(11)9-4-3-6-12-7-5-10/h2,10H,1,3-7H2,(H,9,11)
InChIKeyGJTLVWHDESBBIU-UHFFFAOYSA-N
XLogP-0.31
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[3-[3-(prop-2-enoylamino)propoxy]propyl]prop-2-enamide
CID 58402359
N-[3-[4-[3-(prop-2-enoylamino)propoxy]butoxy]propyl]prop-2-enamide
CID 11522493
N-(3-hydroxypropyl)prop-2-enamide
CID 87194577
N-[3-[bis(2-hydroxyethoxy)amino]propyl]prop-2-enamide
CID 87923177
N-[4-(prop-2-enoylamino)butyl]prop-2-enamide
CID 11542941
N-[12-(prop-2-enoylamino)dodecyl]prop-2-enamide;N-[9-(prop-2-enoylamino)nonyl]prop-2-enamide
CID 159527537
N-[3-[3,4-bis[3-(prop-2-enoylamino)propoxy]butoxy]propyl]prop-2-enamide
CID 144750197
N-[3-[4-acetamido-7-[3-(prop-2-enoylamino)propoxy]-4-[3-[3-(prop-2-enoylamino)propoxy]propyl]heptoxy]propyl]prop-2-enamide
CID 130462282
N-[3-[2-[3-(methylamino)propoxymethyl]-2-(prop-2-enoylamino)-3-[3-(prop-2-enoylamino)propoxy]propoxy]propyl]prop-2-enamide
CID 130306231
1-butoxybutane;N-(hydroxymethyl)prop-2-enamide
CID 19910245
3-(prop-2-enoylamino)propyl 2-methylpropanoate
CID 147188833
6-(prop-2-enoylamino)-N-[2-[2-[2-[6-(prop-2-enoylamino)hexanoylamino]ethoxy]ethoxy]ethyl]hexanamide
CID 166503839

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-hydroxyethoxy)propyl]prop-2-enamide?
The IUPAC name of N-[3-(2-hydroxyethoxy)propyl]prop-2-enamide (CID 106305722) is N-[3-(2-hydroxyethoxy)propyl]prop-2-enamide.
What is the SMILES notation for N-[3-(2-hydroxyethoxy)propyl]prop-2-enamide?
The canonical SMILES for N-[3-(2-hydroxyethoxy)propyl]prop-2-enamide is C=CC(=O)NCCCOCCO.
What is the InChIKey of N-[3-(2-hydroxyethoxy)propyl]prop-2-enamide?
The InChIKey is GJTLVWHDESBBIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-2-8(11)9-4-3-6-12-7-5-10/h2,10H,1,3-7H2,(H,9,11).
What are the key properties of N-[3-(2-hydroxyethoxy)propyl]prop-2-enamide?
N-[3-(2-hydroxyethoxy)propyl]prop-2-enamide has a molecular weight of 173.21 g/mol, XLogP of -0.31, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-hydroxyethoxy)propyl]prop-2-enamide is sourced from PubChem (CID 106305722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).