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

C13H24N2O3 — CID 113114927

IUPAC3-[acetyl(propyl)amino]-N-(oxolan-2-ylmethyl)propanamide
SMILESCCCN(CCC(=O)NCC1CCCO1)C(C)=O
InChIInChI=1S/C13H24N2O3/c1-3-7-15(11(2)16)8-6-13(17)14-10-12-5-4-9-18-12/h12H,3-10H2,1-2H3,(H,14,17)
InChIKeyZIUJGGUGTIBLMU-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.93
Rot. Bonds7

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

3-[acetyl(propyl)amino]-N-(oxolan-2-ylmethyl)propanamide (PubChem CID 113114927) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 3-[acetyl(propyl)amino]-N-(oxolan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[acetyl(propyl)amino]-N-(oxolan-2-ylmethyl)propanamide
PubChem CID113114927
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name3-[acetyl(propyl)amino]-N-(oxolan-2-ylmethyl)propanamide
SMILESCCCN(CCC(=O)NCC1CCCO1)C(C)=O
InChIInChI=1S/C13H24N2O3/c1-3-7-15(11(2)16)8-6-13(17)14-10-12-5-4-9-18-12/h12H,3-10H2,1-2H3,(H,14,17)
InChIKeyZIUJGGUGTIBLMU-UHFFFAOYSA-N
XLogP0.93
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[acetyl(prop-2-enyl)amino]-N-(oxolan-2-ylmethyl)propanamide
CID 113115526
3-[acetyl-[(4-methylphenyl)methyl]amino]-N-(oxolan-2-ylmethyl)propanamide
CID 113118732
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',N'-diethyl-N-(oxolan-2-ylmethyl)propanediamide
CID 108943661
3-(methylamino)-N-(oxolan-2-ylmethyl)propanamide
CID 54773627
2-N-(oxolan-2-ylmethyl)-1-N,1-N-dipropylcyclopropane-1,2-dicarboxamide
CID 109133520
3-(N-acetyl-4-chloroanilino)-N-(oxolan-2-ylmethyl)propanamide
CID 113127358
methyl 4-oxo-4-(oxolan-2-ylmethylamino)butanoate
CID 112511188
3-(N-acetyl-4-tert-butylanilino)-N-(oxolan-2-ylmethyl)propanamide
CID 113126514
2-[acetyl(tert-butyl)amino]-N-(oxolan-2-ylmethyl)acetamide
CID 113166068
N'-(oxolan-2-ylmethyl)-N-prop-2-enylbutanediamide
CID 51362590

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(propyl)amino]-N-(oxolan-2-ylmethyl)propanamide?
The IUPAC name of 3-[acetyl(propyl)amino]-N-(oxolan-2-ylmethyl)propanamide (CID 113114927) is 3-[acetyl(propyl)amino]-N-(oxolan-2-ylmethyl)propanamide.
What is the SMILES notation for 3-[acetyl(propyl)amino]-N-(oxolan-2-ylmethyl)propanamide?
The canonical SMILES for 3-[acetyl(propyl)amino]-N-(oxolan-2-ylmethyl)propanamide is CCCN(CCC(=O)NCC1CCCO1)C(C)=O.
What is the InChIKey of 3-[acetyl(propyl)amino]-N-(oxolan-2-ylmethyl)propanamide?
The InChIKey is ZIUJGGUGTIBLMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-3-7-15(11(2)16)8-6-13(17)14-10-12-5-4-9-18-12/h12H,3-10H2,1-2H3,(H,14,17).
What are the key properties of 3-[acetyl(propyl)amino]-N-(oxolan-2-ylmethyl)propanamide?
3-[acetyl(propyl)amino]-N-(oxolan-2-ylmethyl)propanamide has a molecular weight of 256.35 g/mol, XLogP of 0.93, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(propyl)amino]-N-(oxolan-2-ylmethyl)propanamide is sourced from PubChem (CID 113114927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).