3-[acetyl(prop-2-enyl)amino]-N-(oxolan-2-ylmethyl)propanamide

C13H22N2O3 — CID 113115526

IUPAC3-[acetyl(prop-2-enyl)amino]-N-(oxolan-2-ylmethyl)propanamide
SMILESC=CCN(CCC(=O)NCC1CCCO1)C(C)=O
InChIInChI=1S/C13H22N2O3/c1-3-7-15(11(2)16)8-6-13(17)14-10-12-5-4-9-18-12/h3,12H,1,4-10H2,2H3,(H,14,17)
InChIKeyPBMKKXVZFMSFDN-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.71
Rot. Bonds7

About 3-[acetyl(prop-2-enyl)amino]-N-(oxolan-2-ylmethyl)propanamide

3-[acetyl(prop-2-enyl)amino]-N-(oxolan-2-ylmethyl)propanamide (PubChem CID 113115526) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 3-[acetyl(prop-2-enyl)amino]-N-(oxolan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[acetyl(prop-2-enyl)amino]-N-(oxolan-2-ylmethyl)propanamide
PubChem CID113115526
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name3-[acetyl(prop-2-enyl)amino]-N-(oxolan-2-ylmethyl)propanamide
SMILESC=CCN(CCC(=O)NCC1CCCO1)C(C)=O
InChIInChI=1S/C13H22N2O3/c1-3-7-15(11(2)16)8-6-13(17)14-10-12-5-4-9-18-12/h3,12H,1,4-10H2,2H3,(H,14,17)
InChIKeyPBMKKXVZFMSFDN-UHFFFAOYSA-N
XLogP0.71
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.71
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(propyl)amino]-N-(oxolan-2-ylmethyl)propanamide
CID 113114927
N'-(oxolan-2-ylmethyl)-N-prop-2-enylbutanediamide
CID 51362590
3-[acetyl-[(4-methylphenyl)methyl]amino]-N-(oxolan-2-ylmethyl)propanamide
CID 113118732
3-[[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-prop-2-enylamino]propanoic acid
CID 82327265
3-[acetyl(furan-2-ylmethyl)amino]-N-(oxolan-2-ylmethyl)propanamide
CID 113117997
3-[acetyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]-N-(oxolan-2-ylmethyl)propanamide
CID 113121874
N-(oxolan-2-ylmethyl)prop-2-enamide
CID 15332973
6-acetamido-N-(oxolan-2-ylmethyl)hexanamide
CID 86978113
3-(methylamino)-N-(oxolan-2-ylmethyl)propanamide
CID 54773627
3-[acetyl(prop-2-enyl)amino]-N-propylpropanamide
CID 113115511
6-oxo-6-(oxolan-2-ylmethylamino)hexanoic acid
CID 43529693
3-(N-acetyl-4-chloroanilino)-N-(oxolan-2-ylmethyl)propanamide
CID 113127358

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(prop-2-enyl)amino]-N-(oxolan-2-ylmethyl)propanamide?
The IUPAC name of 3-[acetyl(prop-2-enyl)amino]-N-(oxolan-2-ylmethyl)propanamide (CID 113115526) is 3-[acetyl(prop-2-enyl)amino]-N-(oxolan-2-ylmethyl)propanamide.
What is the SMILES notation for 3-[acetyl(prop-2-enyl)amino]-N-(oxolan-2-ylmethyl)propanamide?
The canonical SMILES for 3-[acetyl(prop-2-enyl)amino]-N-(oxolan-2-ylmethyl)propanamide is C=CCN(CCC(=O)NCC1CCCO1)C(C)=O.
What is the InChIKey of 3-[acetyl(prop-2-enyl)amino]-N-(oxolan-2-ylmethyl)propanamide?
The InChIKey is PBMKKXVZFMSFDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-3-7-15(11(2)16)8-6-13(17)14-10-12-5-4-9-18-12/h3,12H,1,4-10H2,2H3,(H,14,17).
What are the key properties of 3-[acetyl(prop-2-enyl)amino]-N-(oxolan-2-ylmethyl)propanamide?
3-[acetyl(prop-2-enyl)amino]-N-(oxolan-2-ylmethyl)propanamide has a molecular weight of 254.33 g/mol, XLogP of 0.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(prop-2-enyl)amino]-N-(oxolan-2-ylmethyl)propanamide is sourced from PubChem (CID 113115526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).