N-[3-[3-(prop-2-enoylamino)propoxy]propyl]prop-2-enamide

C12H20N2O3 — CID 58402359

IUPACN-[3-[3-(prop-2-enoylamino)propoxy]propyl]prop-2-enamide
SMILESC=CC(=O)NCCCOCCCNC(=O)C=C
InChIInChI=1S/C12H20N2O3/c1-3-11(15)13-7-5-9-17-10-6-8-14-12(16)4-2/h3-4H,1-2,5-10H2,(H,13,15)(H,14,16)
InChIKeyDARMGTJTAQWCLZ-UHFFFAOYSA-N
MW240.30 g/mol
LogP0.39
Rot. Bonds10

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

N-[3-[3-(prop-2-enoylamino)propoxy]propyl]prop-2-enamide (PubChem CID 58402359) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is N-[3-[3-(prop-2-enoylamino)propoxy]propyl]prop-2-enamide.

Molecular Properties

Compound NameN-[3-[3-(prop-2-enoylamino)propoxy]propyl]prop-2-enamide
PubChem CID58402359
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC NameN-[3-[3-(prop-2-enoylamino)propoxy]propyl]prop-2-enamide
SMILESC=CC(=O)NCCCOCCCNC(=O)C=C
InChIInChI=1S/C12H20N2O3/c1-3-11(15)13-7-5-9-17-10-6-8-14-12(16)4-2/h3-4H,1-2,5-10H2,(H,13,15)(H,14,16)
InChIKeyDARMGTJTAQWCLZ-UHFFFAOYSA-N
XLogP0.39
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 50.39
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-[4-[3-(prop-2-enoylamino)propoxy]butoxy]propyl]prop-2-enamide
CID 11522493
N-[3-(2-hydroxyethoxy)propyl]prop-2-enamide
CID 106305722
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
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
N-[4-oxo-6-(prop-2-enoylamino)-7-[3-(prop-2-enoylamino)propoxy]-6-[3-(prop-2-enoylamino)propoxymethyl]heptyl]prop-2-enamide
CID 139546832
N-[2-(2-aminoethoxy)ethyl]prop-2-enamide
CID 88553408
3-[2-(prop-2-enoylamino)ethoxy]propane-1-sulfonate
CID 154597585

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(prop-2-enoylamino)propoxy]propyl]prop-2-enamide?
The IUPAC name of N-[3-[3-(prop-2-enoylamino)propoxy]propyl]prop-2-enamide (CID 58402359) is N-[3-[3-(prop-2-enoylamino)propoxy]propyl]prop-2-enamide.
What is the SMILES notation for N-[3-[3-(prop-2-enoylamino)propoxy]propyl]prop-2-enamide?
The canonical SMILES for N-[3-[3-(prop-2-enoylamino)propoxy]propyl]prop-2-enamide is C=CC(=O)NCCCOCCCNC(=O)C=C.
What is the InChIKey of N-[3-[3-(prop-2-enoylamino)propoxy]propyl]prop-2-enamide?
The InChIKey is DARMGTJTAQWCLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-3-11(15)13-7-5-9-17-10-6-8-14-12(16)4-2/h3-4H,1-2,5-10H2,(H,13,15)(H,14,16).
What are the key properties of N-[3-[3-(prop-2-enoylamino)propoxy]propyl]prop-2-enamide?
N-[3-[3-(prop-2-enoylamino)propoxy]propyl]prop-2-enamide has a molecular weight of 240.30 g/mol, XLogP of 0.39, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(prop-2-enoylamino)propoxy]propyl]prop-2-enamide is sourced from PubChem (CID 58402359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).