2-[acetyl(3-methoxypropyl)amino]-N-prop-2-enylacetamide

C11H20N2O3 — CID 113159991

IUPAC2-[acetyl(3-methoxypropyl)amino]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN(CCCOC)C(C)=O
InChIInChI=1S/C11H20N2O3/c1-4-6-12-11(15)9-13(10(2)14)7-5-8-16-3/h4H,1,5-9H2,2-3H3,(H,12,15)
InChIKeyIIMWPSLDHPIJRI-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.17
Rot. Bonds8

About 2-[acetyl(3-methoxypropyl)amino]-N-prop-2-enylacetamide

2-[acetyl(3-methoxypropyl)amino]-N-prop-2-enylacetamide (PubChem CID 113159991) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-[acetyl(3-methoxypropyl)amino]-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-[acetyl(3-methoxypropyl)amino]-N-prop-2-enylacetamide
PubChem CID113159991
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name2-[acetyl(3-methoxypropyl)amino]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN(CCCOC)C(C)=O
InChIInChI=1S/C11H20N2O3/c1-4-6-12-11(15)9-13(10(2)14)7-5-8-16-3/h4H,1,5-9H2,2-3H3,(H,12,15)
InChIKeyIIMWPSLDHPIJRI-UHFFFAOYSA-N
XLogP0.17
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.17
H-Bond Donors ≤ 51
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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Related Compounds

2-[acetyl(3-methoxypropyl)amino]-N-butylacetamide
CID 113159992
3-[acetyl(2-methoxyethyl)amino]-N-prop-2-enylpropanamide
CID 113116872
2-[acetyl(3-methoxypropyl)amino]-N-(3-methylbutyl)acetamide
CID 113160067
2-[acetyl-[3-(dimethylamino)propyl]amino]-N-(3-methoxypropyl)acetamide
CID 113160778
2-[acetyl(2-methylpropyl)amino]-N-prop-2-enylacetamide
CID 113158811
2-[acetyl(3-methoxypropyl)amino]-N-(4-bromophenyl)acetamide
CID 113160115
2-[acetyl(propyl)amino]-N-(2-methoxyethyl)acetamide
CID 113157913
2-[acetyl(3-methoxypropyl)amino]-N-[(2-chlorophenyl)methyl]acetamide
CID 113160021
2-[acetyl(3-methoxypropyl)amino]-N-(4-tert-butylphenyl)acetamide
CID 113160101
2-[acetyl(3-methoxypropyl)amino]-N-cycloheptylacetamide
CID 113160065
3-[acetyl(prop-2-enyl)amino]-N-(3-methoxypropyl)propanamide
CID 113115524
2-[acetyl(3-methoxypropyl)amino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 113160044

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(3-methoxypropyl)amino]-N-prop-2-enylacetamide?
The IUPAC name of 2-[acetyl(3-methoxypropyl)amino]-N-prop-2-enylacetamide (CID 113159991) is 2-[acetyl(3-methoxypropyl)amino]-N-prop-2-enylacetamide.
What is the SMILES notation for 2-[acetyl(3-methoxypropyl)amino]-N-prop-2-enylacetamide?
The canonical SMILES for 2-[acetyl(3-methoxypropyl)amino]-N-prop-2-enylacetamide is C=CCNC(=O)CN(CCCOC)C(C)=O.
What is the InChIKey of 2-[acetyl(3-methoxypropyl)amino]-N-prop-2-enylacetamide?
The InChIKey is IIMWPSLDHPIJRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-4-6-12-11(15)9-13(10(2)14)7-5-8-16-3/h4H,1,5-9H2,2-3H3,(H,12,15).
What are the key properties of 2-[acetyl(3-methoxypropyl)amino]-N-prop-2-enylacetamide?
2-[acetyl(3-methoxypropyl)amino]-N-prop-2-enylacetamide has a molecular weight of 228.29 g/mol, XLogP of 0.17, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(3-methoxypropyl)amino]-N-prop-2-enylacetamide is sourced from PubChem (CID 113159991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).