3-[3-(benzylamino)propoxy]oxolan-2-one

C14H19NO3 — CID 106940940

IUPAC3-[3-(benzylamino)propoxy]oxolan-2-one
SMILESO=C1OCCC1OCCCNCc1ccccc1
InChIInChI=1S/C14H19NO3/c16-14-13(7-10-18-14)17-9-4-8-15-11-12-5-2-1-3-6-12/h1-3,5-6,13,15H,4,7-11H2
InChIKeyFZALQFIKDNMYTJ-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.50
Rot. Bonds7

About 3-[3-(benzylamino)propoxy]oxolan-2-one

3-[3-(benzylamino)propoxy]oxolan-2-one (PubChem CID 106940940) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 3-[3-(benzylamino)propoxy]oxolan-2-one.

Molecular Properties

Compound Name3-[3-(benzylamino)propoxy]oxolan-2-one
PubChem CID106940940
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name3-[3-(benzylamino)propoxy]oxolan-2-one
SMILESO=C1OCCC1OCCCNCc1ccccc1
InChIInChI=1S/C14H19NO3/c16-14-13(7-10-18-14)17-9-4-8-15-11-12-5-2-1-3-6-12/h1-3,5-6,13,15H,4,7-11H2
InChIKeyFZALQFIKDNMYTJ-UHFFFAOYSA-N
XLogP1.50
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-3-(3-methylcyclohexyl)oxypropan-1-amine
CID 114783095
N-benzyl-3-phenoxypropan-1-amine
CID 13291924
3-(4-benzylphenoxy)oxolan-2-one
CID 142700385
N-benzyl-3-(cyclohexylmethoxy)propan-1-amine
CID 114782937
N-benzyl-4-cyclopropylbutan-1-amine
CID 165438994
N-benzyl-3-(2,2-difluoroethoxy)propan-1-amine
CID 114782953
N-benzyl-2-(2-cyclopropylethoxy)ethanamine
CID 106206256
N-benzyl-3-(2-methylsulfonylethoxy)propan-1-amine
CID 114782832
3-[1-(benzylamino)ethenyl]oxolan-2-one
CID 11820655
3-(3-phenylmethoxypropyl)oxolan-2-one
CID 177135266
N,N'-dibenzylhexane-1,6-diamine;dihydrobromide
CID 131880779
3-[2,6-difluoro-4-[(2-methoxyethylamino)methyl]phenoxy]oxolan-2-one
CID 79884094

Frequently Asked Questions

What is the IUPAC name of 3-[3-(benzylamino)propoxy]oxolan-2-one?
The IUPAC name of 3-[3-(benzylamino)propoxy]oxolan-2-one (CID 106940940) is 3-[3-(benzylamino)propoxy]oxolan-2-one.
What is the SMILES notation for 3-[3-(benzylamino)propoxy]oxolan-2-one?
The canonical SMILES for 3-[3-(benzylamino)propoxy]oxolan-2-one is O=C1OCCC1OCCCNCc1ccccc1.
What is the InChIKey of 3-[3-(benzylamino)propoxy]oxolan-2-one?
The InChIKey is FZALQFIKDNMYTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c16-14-13(7-10-18-14)17-9-4-8-15-11-12-5-2-1-3-6-12/h1-3,5-6,13,15H,4,7-11H2.
What are the key properties of 3-[3-(benzylamino)propoxy]oxolan-2-one?
3-[3-(benzylamino)propoxy]oxolan-2-one has a molecular weight of 249.31 g/mol, XLogP of 1.50, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(benzylamino)propoxy]oxolan-2-one is sourced from PubChem (CID 106940940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).