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

C10H16N2O3 — CID 129044196

IUPACN-[2-methoxy-3-(prop-2-enoylamino)propyl]prop-2-enamide
SMILESC=CC(=O)NCC(CNC(=O)C=C)OC
InChIInChI=1S/C10H16N2O3/c1-4-9(13)11-6-8(15-3)7-12-10(14)5-2/h4-5,8H,1-2,6-7H2,3H3,(H,11,13)(H,12,14)
InChIKeyFOLYKGZIAYNCEJ-UHFFFAOYSA-N
MW212.25 g/mol
LogP-0.39
Rot. Bonds7

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

N-[2-methoxy-3-(prop-2-enoylamino)propyl]prop-2-enamide (PubChem CID 129044196) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is N-[2-methoxy-3-(prop-2-enoylamino)propyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-methoxy-3-(prop-2-enoylamino)propyl]prop-2-enamide
PubChem CID129044196
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC NameN-[2-methoxy-3-(prop-2-enoylamino)propyl]prop-2-enamide
SMILESC=CC(=O)NCC(CNC(=O)C=C)OC
InChIInChI=1S/C10H16N2O3/c1-4-9(13)11-6-8(15-3)7-12-10(14)5-2/h4-5,8H,1-2,6-7H2,3H3,(H,11,13)(H,12,14)
InChIKeyFOLYKGZIAYNCEJ-UHFFFAOYSA-N
XLogP-0.39
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-3-(prop-2-enoylamino)propyl]prop-2-enamide?
The IUPAC name of N-[2-methoxy-3-(prop-2-enoylamino)propyl]prop-2-enamide (CID 129044196) is N-[2-methoxy-3-(prop-2-enoylamino)propyl]prop-2-enamide.
What is the SMILES notation for N-[2-methoxy-3-(prop-2-enoylamino)propyl]prop-2-enamide?
The canonical SMILES for N-[2-methoxy-3-(prop-2-enoylamino)propyl]prop-2-enamide is C=CC(=O)NCC(CNC(=O)C=C)OC.
What is the InChIKey of N-[2-methoxy-3-(prop-2-enoylamino)propyl]prop-2-enamide?
The InChIKey is FOLYKGZIAYNCEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-4-9(13)11-6-8(15-3)7-12-10(14)5-2/h4-5,8H,1-2,6-7H2,3H3,(H,11,13)(H,12,14).
What are the key properties of N-[2-methoxy-3-(prop-2-enoylamino)propyl]prop-2-enamide?
N-[2-methoxy-3-(prop-2-enoylamino)propyl]prop-2-enamide has a molecular weight of 212.25 g/mol, XLogP of -0.39, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-3-(prop-2-enoylamino)propyl]prop-2-enamide is sourced from PubChem (CID 129044196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).