N-[3-(diethylamino)-2-hydroxypropyl]but-3-enamide

C11H22N2O2 — CID 90245955

IUPACN-[3-(diethylamino)-2-hydroxypropyl]but-3-enamide
SMILESC=CCC(=O)NCC(O)CN(CC)CC
InChIInChI=1S/C11H22N2O2/c1-4-7-11(15)12-8-10(14)9-13(5-2)6-3/h4,10,14H,1,5-9H2,2-3H3,(H,12,15)
InChIKeyFFSOHCORTYPOQQ-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.38
Rot. Bonds8

About N-[3-(diethylamino)-2-hydroxypropyl]but-3-enamide

N-[3-(diethylamino)-2-hydroxypropyl]but-3-enamide (PubChem CID 90245955) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is N-[3-(diethylamino)-2-hydroxypropyl]but-3-enamide.

Molecular Properties

Compound NameN-[3-(diethylamino)-2-hydroxypropyl]but-3-enamide
PubChem CID90245955
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC NameN-[3-(diethylamino)-2-hydroxypropyl]but-3-enamide
SMILESC=CCC(=O)NCC(O)CN(CC)CC
InChIInChI=1S/C11H22N2O2/c1-4-7-11(15)12-8-10(14)9-13(5-2)6-3/h4,10,14H,1,5-9H2,2-3H3,(H,12,15)
InChIKeyFFSOHCORTYPOQQ-UHFFFAOYSA-N
XLogP0.38
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylamino)-2-hydroxypropyl]but-3-enamide?
The IUPAC name of N-[3-(diethylamino)-2-hydroxypropyl]but-3-enamide (CID 90245955) is N-[3-(diethylamino)-2-hydroxypropyl]but-3-enamide.
What is the SMILES notation for N-[3-(diethylamino)-2-hydroxypropyl]but-3-enamide?
The canonical SMILES for N-[3-(diethylamino)-2-hydroxypropyl]but-3-enamide is C=CCC(=O)NCC(O)CN(CC)CC.
What is the InChIKey of N-[3-(diethylamino)-2-hydroxypropyl]but-3-enamide?
The InChIKey is FFSOHCORTYPOQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-4-7-11(15)12-8-10(14)9-13(5-2)6-3/h4,10,14H,1,5-9H2,2-3H3,(H,12,15).
What are the key properties of N-[3-(diethylamino)-2-hydroxypropyl]but-3-enamide?
N-[3-(diethylamino)-2-hydroxypropyl]but-3-enamide has a molecular weight of 214.31 g/mol, XLogP of 0.38, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylamino)-2-hydroxypropyl]but-3-enamide is sourced from PubChem (CID 90245955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).