3-[acetyl(2-methoxyethyl)amino]-N-prop-2-enylpropanamide

C11H20N2O3 — CID 113116872

IUPAC3-[acetyl(2-methoxyethyl)amino]-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)CCN(CCOC)C(C)=O
InChIInChI=1S/C11H20N2O3/c1-4-6-12-11(15)5-7-13(10(2)14)8-9-16-3/h4H,1,5-9H2,2-3H3,(H,12,15)
InChIKeySQZPYLRBMNFLPD-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.17
Rot. Bonds8

About 3-[acetyl(2-methoxyethyl)amino]-N-prop-2-enylpropanamide

3-[acetyl(2-methoxyethyl)amino]-N-prop-2-enylpropanamide (PubChem CID 113116872) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 3-[acetyl(2-methoxyethyl)amino]-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name3-[acetyl(2-methoxyethyl)amino]-N-prop-2-enylpropanamide
PubChem CID113116872
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name3-[acetyl(2-methoxyethyl)amino]-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)CCN(CCOC)C(C)=O
InChIInChI=1S/C11H20N2O3/c1-4-6-12-11(15)5-7-13(10(2)14)8-9-16-3/h4H,1,5-9H2,2-3H3,(H,12,15)
InChIKeySQZPYLRBMNFLPD-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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-[acetyl(2-methoxyethyl)amino]-N-[2-(dimethylamino)ethyl]propanamide
CID 113116886
2-[acetyl(3-methoxypropyl)amino]-N-prop-2-enylacetamide
CID 113159991
3-[acetyl(prop-2-enyl)amino]-N-(3-methoxypropyl)propanamide
CID 113115524
3-[acetyl(butyl)amino]-N-(3-methoxypropyl)propanamide
CID 113115724
3-[acetyl(2-methoxyethyl)amino]-N-(4-cyanophenyl)propanamide
CID 113117060
3-[acetyl(prop-2-enyl)amino]-N-propylpropanamide
CID 113115511
3-[acetyl(pyridin-2-ylmethyl)amino]-N-prop-2-enylpropanamide
CID 113120148
N-(2-methoxyethyl)-3-oxo-N-prop-2-enylbutanamide
CID 103338945
2-[acetyl(2-methoxyethyl)amino]-N-propan-2-ylacetamide
CID 113159791
4-ethoxy-N-prop-2-enylbutanamide
CID 112728026
N-[(4Z)-6-hydroxy-4-methylhepta-4,6-dienyl]-N-(2-methoxyethyl)acetamide
CID 163497088
3-[acetyl(prop-2-enyl)amino]-N-butylpropanamide
CID 113115514

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(2-methoxyethyl)amino]-N-prop-2-enylpropanamide?
The IUPAC name of 3-[acetyl(2-methoxyethyl)amino]-N-prop-2-enylpropanamide (CID 113116872) is 3-[acetyl(2-methoxyethyl)amino]-N-prop-2-enylpropanamide.
What is the SMILES notation for 3-[acetyl(2-methoxyethyl)amino]-N-prop-2-enylpropanamide?
The canonical SMILES for 3-[acetyl(2-methoxyethyl)amino]-N-prop-2-enylpropanamide is C=CCNC(=O)CCN(CCOC)C(C)=O.
What is the InChIKey of 3-[acetyl(2-methoxyethyl)amino]-N-prop-2-enylpropanamide?
The InChIKey is SQZPYLRBMNFLPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-4-6-12-11(15)5-7-13(10(2)14)8-9-16-3/h4H,1,5-9H2,2-3H3,(H,12,15).
What are the key properties of 3-[acetyl(2-methoxyethyl)amino]-N-prop-2-enylpropanamide?
3-[acetyl(2-methoxyethyl)amino]-N-prop-2-enylpropanamide 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 3-[acetyl(2-methoxyethyl)amino]-N-prop-2-enylpropanamide is sourced from PubChem (CID 113116872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).