2-(3-ethoxypropylamino)-N-prop-2-enylpropanamide

C11H22N2O2 — CID 43087350

IUPAC2-(3-ethoxypropylamino)-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)NCCCOCC
InChIInChI=1S/C11H22N2O2/c1-4-7-13-11(14)10(3)12-8-6-9-15-5-2/h4,10,12H,1,5-9H2,2-3H3,(H,13,14)
InChIKeyNBMDBPJIGNFRSH-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.69
Rot. Bonds9

About 2-(3-ethoxypropylamino)-N-prop-2-enylpropanamide

2-(3-ethoxypropylamino)-N-prop-2-enylpropanamide (PubChem CID 43087350) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-(3-ethoxypropylamino)-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name2-(3-ethoxypropylamino)-N-prop-2-enylpropanamide
PubChem CID43087350
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name2-(3-ethoxypropylamino)-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)NCCCOCC
InChIInChI=1S/C11H22N2O2/c1-4-7-13-11(14)10(3)12-8-6-9-15-5-2/h4,10,12H,1,5-9H2,2-3H3,(H,13,14)
InChIKeyNBMDBPJIGNFRSH-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 2-(3-ethoxypropylamino)-N-prop-2-enylpropanamide?
The IUPAC name of 2-(3-ethoxypropylamino)-N-prop-2-enylpropanamide (CID 43087350) is 2-(3-ethoxypropylamino)-N-prop-2-enylpropanamide.
What is the SMILES notation for 2-(3-ethoxypropylamino)-N-prop-2-enylpropanamide?
The canonical SMILES for 2-(3-ethoxypropylamino)-N-prop-2-enylpropanamide is C=CCNC(=O)C(C)NCCCOCC.
What is the InChIKey of 2-(3-ethoxypropylamino)-N-prop-2-enylpropanamide?
The InChIKey is NBMDBPJIGNFRSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-4-7-13-11(14)10(3)12-8-6-9-15-5-2/h4,10,12H,1,5-9H2,2-3H3,(H,13,14).
What are the key properties of 2-(3-ethoxypropylamino)-N-prop-2-enylpropanamide?
2-(3-ethoxypropylamino)-N-prop-2-enylpropanamide 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 2-(3-ethoxypropylamino)-N-prop-2-enylpropanamide is sourced from PubChem (CID 43087350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).