4-(oxolan-3-ylmethoxy)-2-(propylamino)butanamide

C12H24N2O3 — CID 55144720

IUPAC4-(oxolan-3-ylmethoxy)-2-(propylamino)butanamide
SMILESCCCNC(CCOCC1CCOC1)C(N)=O
InChIInChI=1S/C12H24N2O3/c1-2-5-14-11(12(13)15)4-7-17-9-10-3-6-16-8-10/h10-11,14H,2-9H2,1H3,(H2,13,15)
InChIKeyXIPNWIISYTXFNY-UHFFFAOYSA-N
MW244.33 g/mol
LogP0.28
Rot. Bonds9

About 4-(oxolan-3-ylmethoxy)-2-(propylamino)butanamide

4-(oxolan-3-ylmethoxy)-2-(propylamino)butanamide (PubChem CID 55144720) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 4-(oxolan-3-ylmethoxy)-2-(propylamino)butanamide.

Molecular Properties

Compound Name4-(oxolan-3-ylmethoxy)-2-(propylamino)butanamide
PubChem CID55144720
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name4-(oxolan-3-ylmethoxy)-2-(propylamino)butanamide
SMILESCCCNC(CCOCC1CCOC1)C(N)=O
InChIInChI=1S/C12H24N2O3/c1-2-5-14-11(12(13)15)4-7-17-9-10-3-6-16-8-10/h10-11,14H,2-9H2,1H3,(H2,13,15)
InChIKeyXIPNWIISYTXFNY-UHFFFAOYSA-N
XLogP0.28
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(oxan-2-ylmethoxy)-2-(propylamino)butanamide
CID 55144151
ethyl 2-methyl-3-(oxolan-3-ylmethoxy)propanoate
CID 115001681
4-cyclobutyloxy-2-(propylamino)butanamide
CID 63035850
4-cyclohexyloxy-2-(propylamino)butanamide
CID 63039498
3-amino-2-methyl-N-[3-(oxolan-3-ylmethoxy)propyl]butanamide;hydrochloride
CID 120501461
4-(cyclopropylmethoxy)-2-(propan-2-ylamino)butanamide
CID 63041185
ethyl 2-(oxolan-3-ylmethylamino)pentanoate
CID 79041046
2-amino-2-methyl-N-[3-(oxolan-3-ylmethoxy)propyl]pentanamide;hydrochloride
CID 119800069
2-(oxolan-3-ylmethoxy)acetohydrazide
CID 63570032
4-(cyclohexylmethoxy)-2-(methylamino)butanamide
CID 63035501
methyl 2-methyl-3-[[N'-methyl-N-[3-(oxolan-3-ylmethoxy)propyl]carbamimidoyl]amino]propanoate;hydroiodide
CID 111645665
2-(cyclopropylamino)-4-(cyclopropylmethoxy)butanamide
CID 63040627

Frequently Asked Questions

What is the IUPAC name of 4-(oxolan-3-ylmethoxy)-2-(propylamino)butanamide?
The IUPAC name of 4-(oxolan-3-ylmethoxy)-2-(propylamino)butanamide (CID 55144720) is 4-(oxolan-3-ylmethoxy)-2-(propylamino)butanamide.
What is the SMILES notation for 4-(oxolan-3-ylmethoxy)-2-(propylamino)butanamide?
The canonical SMILES for 4-(oxolan-3-ylmethoxy)-2-(propylamino)butanamide is CCCNC(CCOCC1CCOC1)C(N)=O.
What is the InChIKey of 4-(oxolan-3-ylmethoxy)-2-(propylamino)butanamide?
The InChIKey is XIPNWIISYTXFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-2-5-14-11(12(13)15)4-7-17-9-10-3-6-16-8-10/h10-11,14H,2-9H2,1H3,(H2,13,15).
What are the key properties of 4-(oxolan-3-ylmethoxy)-2-(propylamino)butanamide?
4-(oxolan-3-ylmethoxy)-2-(propylamino)butanamide has a molecular weight of 244.33 g/mol, XLogP of 0.28, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxolan-3-ylmethoxy)-2-(propylamino)butanamide is sourced from PubChem (CID 55144720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).