N-[(2R)-3-[but-3-enyl(ethyl)amino]-2-hydroxypropyl]acetamide

C11H22N2O2 — CID 90250305

IUPACN-[(2R)-3-[but-3-enyl(ethyl)amino]-2-hydroxypropyl]acetamide
SMILESC=CCCN(CC)C[C@H](O)CNC(C)=O
InChIInChI=1S/C11H22N2O2/c1-4-6-7-13(5-2)9-11(15)8-12-10(3)14/h4,11,15H,1,5-9H2,2-3H3,(H,12,14)/t11-/m1/s1
InChIKeyDDOHMUJMHBJBDD-LLVKDONJSA-N
MW214.31 g/mol
LogP0.38
Rot. Bonds8

About N-[(2R)-3-[but-3-enyl(ethyl)amino]-2-hydroxypropyl]acetamide

N-[(2R)-3-[but-3-enyl(ethyl)amino]-2-hydroxypropyl]acetamide (PubChem CID 90250305) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is N-[(2R)-3-[but-3-enyl(ethyl)amino]-2-hydroxypropyl]acetamide.

Molecular Properties

Compound NameN-[(2R)-3-[but-3-enyl(ethyl)amino]-2-hydroxypropyl]acetamide
PubChem CID90250305
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC NameN-[(2R)-3-[but-3-enyl(ethyl)amino]-2-hydroxypropyl]acetamide
SMILESC=CCCN(CC)C[C@H](O)CNC(C)=O
InChIInChI=1S/C11H22N2O2/c1-4-6-7-13(5-2)9-11(15)8-12-10(3)14/h4,11,15H,1,5-9H2,2-3H3,(H,12,14)/t11-/m1/s1
InChIKeyDDOHMUJMHBJBDD-LLVKDONJSA-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-[(2R)-3-[but-3-enyl(ethyl)amino]-2-hydroxypropyl]acetamide?
The IUPAC name of N-[(2R)-3-[but-3-enyl(ethyl)amino]-2-hydroxypropyl]acetamide (CID 90250305) is N-[(2R)-3-[but-3-enyl(ethyl)amino]-2-hydroxypropyl]acetamide.
What is the SMILES notation for N-[(2R)-3-[but-3-enyl(ethyl)amino]-2-hydroxypropyl]acetamide?
The canonical SMILES for N-[(2R)-3-[but-3-enyl(ethyl)amino]-2-hydroxypropyl]acetamide is C=CCCN(CC)C[C@H](O)CNC(C)=O.
What is the InChIKey of N-[(2R)-3-[but-3-enyl(ethyl)amino]-2-hydroxypropyl]acetamide?
The InChIKey is DDOHMUJMHBJBDD-LLVKDONJSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-4-6-7-13(5-2)9-11(15)8-12-10(3)14/h4,11,15H,1,5-9H2,2-3H3,(H,12,14)/t11-/m1/s1.
What are the key properties of N-[(2R)-3-[but-3-enyl(ethyl)amino]-2-hydroxypropyl]acetamide?
N-[(2R)-3-[but-3-enyl(ethyl)amino]-2-hydroxypropyl]acetamide 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-[(2R)-3-[but-3-enyl(ethyl)amino]-2-hydroxypropyl]acetamide is sourced from PubChem (CID 90250305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).