3-phenylpropyl 4-(ethylamino)oxolane-3-carboxylate

C16H23NO3 — CID 66247348

IUPAC3-phenylpropyl 4-(ethylamino)oxolane-3-carboxylate
SMILESCCNC1COCC1C(=O)OCCCc1ccccc1
InChIInChI=1S/C16H23NO3/c1-2-17-15-12-19-11-14(15)16(18)20-10-6-9-13-7-4-3-5-8-13/h3-5,7-8,14-15,17H,2,6,9-12H2,1H3
InChIKeyIDNWQFVJWDOBGZ-UHFFFAOYSA-N
MW277.36 g/mol
LogP1.79
Rot. Bonds7

About 3-phenylpropyl 4-(ethylamino)oxolane-3-carboxylate

3-phenylpropyl 4-(ethylamino)oxolane-3-carboxylate (PubChem CID 66247348) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 3-phenylpropyl 4-(ethylamino)oxolane-3-carboxylate.

Molecular Properties

Compound Name3-phenylpropyl 4-(ethylamino)oxolane-3-carboxylate
PubChem CID66247348
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name3-phenylpropyl 4-(ethylamino)oxolane-3-carboxylate
SMILESCCNC1COCC1C(=O)OCCCc1ccccc1
InChIInChI=1S/C16H23NO3/c1-2-17-15-12-19-11-14(15)16(18)20-10-6-9-13-7-4-3-5-8-13/h3-5,7-8,14-15,17H,2,6,9-12H2,1H3
InChIKeyIDNWQFVJWDOBGZ-UHFFFAOYSA-N
XLogP1.79
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 51.79
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

[4-(ethylamino)oxolan-3-yl]-phenylmethanone
CID 116588048
4-phenyl-1-[4-(propylamino)oxolan-3-yl]butan-1-one
CID 116587719
bis(3-phenylpropyl) cyclohexane-1,4-dicarboxylate
CID 71382772
4-(ethylamino)-N-(1-hydroxy-3-phenylpropan-2-yl)oxolane-3-carboxamide
CID 66260077
4-(ethylamino)-N-(4-propylphenyl)oxolane-3-carboxamide
CID 66260204
1-benzofuran-2-yl-[4-(ethylamino)oxolan-3-yl]methanone
CID 114736917
bis(5-phenylpentyl) cyclohexane-1,2-dicarboxylate
CID 174219135
2-O-(4-methylpentyl) 1-O-(3-phenylpropyl) cyclohex-4-ene-1,2-dicarboxylate
CID 91710003
propan-2-yl 4-(ethylamino)oxolane-3-carboxylate
CID 66247148
3-phenylpropyl 4-amino-3-methyloxolane-3-carboxylate
CID 66249748
4-(ethylamino)-N-(2-phenylpropyl)oxolane-3-carboxamide
CID 66260251
benzyl (3R,4R)-5-hydroxy-4-phenylmethoxy-3-(3-phenylpropoxy)oxane-2-carboxylate
CID 59011060

Frequently Asked Questions

What is the IUPAC name of 3-phenylpropyl 4-(ethylamino)oxolane-3-carboxylate?
The IUPAC name of 3-phenylpropyl 4-(ethylamino)oxolane-3-carboxylate (CID 66247348) is 3-phenylpropyl 4-(ethylamino)oxolane-3-carboxylate.
What is the SMILES notation for 3-phenylpropyl 4-(ethylamino)oxolane-3-carboxylate?
The canonical SMILES for 3-phenylpropyl 4-(ethylamino)oxolane-3-carboxylate is CCNC1COCC1C(=O)OCCCc1ccccc1.
What is the InChIKey of 3-phenylpropyl 4-(ethylamino)oxolane-3-carboxylate?
The InChIKey is IDNWQFVJWDOBGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-2-17-15-12-19-11-14(15)16(18)20-10-6-9-13-7-4-3-5-8-13/h3-5,7-8,14-15,17H,2,6,9-12H2,1H3.
What are the key properties of 3-phenylpropyl 4-(ethylamino)oxolane-3-carboxylate?
3-phenylpropyl 4-(ethylamino)oxolane-3-carboxylate has a molecular weight of 277.36 g/mol, XLogP of 1.79, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylpropyl 4-(ethylamino)oxolane-3-carboxylate is sourced from PubChem (CID 66247348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).