N-prop-2-enyl-2-[2-(propylamino)ethoxy]propanamide

C11H22N2O2 — CID 62337052

IUPACN-prop-2-enyl-2-[2-(propylamino)ethoxy]propanamide
SMILESC=CCNC(=O)C(C)OCCNCCC
InChIInChI=1S/C11H22N2O2/c1-4-6-12-8-9-15-10(3)11(14)13-7-5-2/h5,10,12H,2,4,6-9H2,1,3H3,(H,13,14)
InChIKeyPTCUGJLWCIKCAP-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.69
Rot. Bonds9

About N-prop-2-enyl-2-[2-(propylamino)ethoxy]propanamide

N-prop-2-enyl-2-[2-(propylamino)ethoxy]propanamide (PubChem CID 62337052) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is N-prop-2-enyl-2-[2-(propylamino)ethoxy]propanamide.

Molecular Properties

Compound NameN-prop-2-enyl-2-[2-(propylamino)ethoxy]propanamide
PubChem CID62337052
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC NameN-prop-2-enyl-2-[2-(propylamino)ethoxy]propanamide
SMILESC=CCNC(=O)C(C)OCCNCCC
InChIInChI=1S/C11H22N2O2/c1-4-6-12-8-9-15-10(3)11(14)13-7-5-2/h5,10,12H,2,4,6-9H2,1,3H3,(H,13,14)
InChIKeyPTCUGJLWCIKCAP-UHFFFAOYSA-N
XLogP0.69
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-2-[2-(propylamino)ethoxy]propanamide?
The IUPAC name of N-prop-2-enyl-2-[2-(propylamino)ethoxy]propanamide (CID 62337052) is N-prop-2-enyl-2-[2-(propylamino)ethoxy]propanamide.
What is the SMILES notation for N-prop-2-enyl-2-[2-(propylamino)ethoxy]propanamide?
The canonical SMILES for N-prop-2-enyl-2-[2-(propylamino)ethoxy]propanamide is C=CCNC(=O)C(C)OCCNCCC.
What is the InChIKey of N-prop-2-enyl-2-[2-(propylamino)ethoxy]propanamide?
The InChIKey is PTCUGJLWCIKCAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-4-6-12-8-9-15-10(3)11(14)13-7-5-2/h5,10,12H,2,4,6-9H2,1,3H3,(H,13,14).
What are the key properties of N-prop-2-enyl-2-[2-(propylamino)ethoxy]propanamide?
N-prop-2-enyl-2-[2-(propylamino)ethoxy]propanamide has a molecular weight of 214.31 g/mol, XLogP of 0.69, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-2-[2-(propylamino)ethoxy]propanamide is sourced from PubChem (CID 62337052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).