1-[4-(propylamino)oxolan-3-yl]undecan-1-one

C18H35NO2 — CID 116587751

IUPAC1-[4-(propylamino)oxolan-3-yl]undecan-1-one
SMILESCCCCCCCCCCC(=O)C1COCC1NCCC
InChIInChI=1S/C18H35NO2/c1-3-5-6-7-8-9-10-11-12-18(20)16-14-21-15-17(16)19-13-4-2/h16-17,19H,3-15H2,1-2H3
InChIKeyAZXGXPIBNCECOM-UHFFFAOYSA-N
MW297.48 g/mol
LogP4.10
Rot. Bonds13

About 1-[4-(propylamino)oxolan-3-yl]undecan-1-one

1-[4-(propylamino)oxolan-3-yl]undecan-1-one (PubChem CID 116587751) has the molecular formula C18H35NO2 and a molecular weight of 297.48 g/mol. Its IUPAC name is 1-[4-(propylamino)oxolan-3-yl]undecan-1-one.

Molecular Properties

Compound Name1-[4-(propylamino)oxolan-3-yl]undecan-1-one
PubChem CID116587751
Molecular FormulaC18H35NO2
Molecular Weight297.48 g/mol
Exact Mass297.27
IUPAC Name1-[4-(propylamino)oxolan-3-yl]undecan-1-one
SMILESCCCCCCCCCCC(=O)C1COCC1NCCC
InChIInChI=1S/C18H35NO2/c1-3-5-6-7-8-9-10-11-12-18(20)16-14-21-15-17(16)19-13-4-2/h16-17,19H,3-15H2,1-2H3
InChIKeyAZXGXPIBNCECOM-UHFFFAOYSA-N
XLogP4.10
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.48
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(propylamino)oxolan-3-yl]pentan-1-one
CID 116587714
1-[4-(methylamino)oxolan-3-yl]octan-1-one
CID 116561320
4,4,4-trifluoro-1-[4-(propylamino)oxolan-3-yl]butan-1-one
CID 116587884
4-phenyl-1-[4-(propylamino)oxolan-3-yl]butan-1-one
CID 116587719
6-[[4-(propylamino)oxolane-3-carbonyl]amino]hexanoic acid
CID 66256152
cyclopropyl-[4-(propylamino)oxolan-3-yl]methanone
CID 116587886
2-methyl-1-[4-(propylamino)oxolan-3-yl]propan-1-one
CID 116587663
N-butyl-N-cyclopropyl-4-(propylamino)oxolane-3-carboxamide
CID 66257100
2-methyl-1-[4-(propylamino)oxolan-3-yl]butan-1-one
CID 116587700
N-propan-2-yl-4-(propylamino)oxolane-3-carboxamide
CID 66254772
N-(2-butoxyethyl)-4-(propylamino)oxolane-3-carboxamide
CID 66255585
2-(3,5-dimethylphenyl)-1-[4-(propylamino)oxolan-3-yl]ethanone
CID 116587669

Frequently Asked Questions

What is the IUPAC name of 1-[4-(propylamino)oxolan-3-yl]undecan-1-one?
The IUPAC name of 1-[4-(propylamino)oxolan-3-yl]undecan-1-one (CID 116587751) is 1-[4-(propylamino)oxolan-3-yl]undecan-1-one.
What is the SMILES notation for 1-[4-(propylamino)oxolan-3-yl]undecan-1-one?
The canonical SMILES for 1-[4-(propylamino)oxolan-3-yl]undecan-1-one is CCCCCCCCCCC(=O)C1COCC1NCCC.
What is the InChIKey of 1-[4-(propylamino)oxolan-3-yl]undecan-1-one?
The InChIKey is AZXGXPIBNCECOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO2/c1-3-5-6-7-8-9-10-11-12-18(20)16-14-21-15-17(16)19-13-4-2/h16-17,19H,3-15H2,1-2H3.
What are the key properties of 1-[4-(propylamino)oxolan-3-yl]undecan-1-one?
1-[4-(propylamino)oxolan-3-yl]undecan-1-one has a molecular weight of 297.48 g/mol, XLogP of 4.10, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(propylamino)oxolan-3-yl]undecan-1-one is sourced from PubChem (CID 116587751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).