[4-(ethylamino)oxolan-3-yl]-phenylmethanone

C13H17NO2 — CID 116588048

IUPAC[4-(ethylamino)oxolan-3-yl]-phenylmethanone
SMILESCCNC1COCC1C(=O)c1ccccc1
InChIInChI=1S/C13H17NO2/c1-2-14-12-9-16-8-11(12)13(15)10-6-4-3-5-7-10/h3-7,11-12,14H,2,8-9H2,1H3
InChIKeyMMUDXDWXQGQHOD-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.49
Rot. Bonds4

About [4-(ethylamino)oxolan-3-yl]-phenylmethanone

[4-(ethylamino)oxolan-3-yl]-phenylmethanone (PubChem CID 116588048) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is [4-(ethylamino)oxolan-3-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-(ethylamino)oxolan-3-yl]-phenylmethanone
PubChem CID116588048
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name[4-(ethylamino)oxolan-3-yl]-phenylmethanone
SMILESCCNC1COCC1C(=O)c1ccccc1
InChIInChI=1S/C13H17NO2/c1-2-14-12-9-16-8-11(12)13(15)10-6-4-3-5-7-10/h3-7,11-12,14H,2,8-9H2,1H3
InChIKeyMMUDXDWXQGQHOD-UHFFFAOYSA-N
XLogP1.49
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-ethoxyphenyl)-[4-(ethylamino)oxolan-3-yl]methanone
CID 116588175
1-benzofuran-2-yl-[4-(ethylamino)oxolan-3-yl]methanone
CID 114736917
[4-(methylamino)oxolan-3-yl]-(4-phenylphenyl)methanone
CID 116561335
4-(ethylamino)-N-(2-hydroxy-2-phenylethyl)oxolane-3-carboxamide
CID 66257495
4-(ethylamino)-N-(2-phenylpropyl)oxolane-3-carboxamide
CID 66260251
N-(2,5-dimethylpyrrol-1-yl)-4-(ethylamino)oxolane-3-carboxamide
CID 79100449
3-phenylpropyl 4-(ethylamino)oxolane-3-carboxylate
CID 66247348
4-[[4-(ethylamino)oxolane-3-carbonyl]-methylamino]benzoic acid
CID 104698721
N-(2-chlorophenyl)-4-(ethylamino)oxolane-3-carboxamide
CID 66259041
4-(ethylamino)-N-(1-hydroxy-3-phenylpropan-2-yl)oxolane-3-carboxamide
CID 66260077
4-(ethylamino)-N-[(2-methylphenyl)methyl]oxolane-3-carboxamide
CID 66258098
(4-ethoxyphenyl)-[4-(propylamino)oxolan-3-yl]methanone
CID 116587685

Frequently Asked Questions

What is the IUPAC name of [4-(ethylamino)oxolan-3-yl]-phenylmethanone?
The IUPAC name of [4-(ethylamino)oxolan-3-yl]-phenylmethanone (CID 116588048) is [4-(ethylamino)oxolan-3-yl]-phenylmethanone.
What is the SMILES notation for [4-(ethylamino)oxolan-3-yl]-phenylmethanone?
The canonical SMILES for [4-(ethylamino)oxolan-3-yl]-phenylmethanone is CCNC1COCC1C(=O)c1ccccc1.
What is the InChIKey of [4-(ethylamino)oxolan-3-yl]-phenylmethanone?
The InChIKey is MMUDXDWXQGQHOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-2-14-12-9-16-8-11(12)13(15)10-6-4-3-5-7-10/h3-7,11-12,14H,2,8-9H2,1H3.
What are the key properties of [4-(ethylamino)oxolan-3-yl]-phenylmethanone?
[4-(ethylamino)oxolan-3-yl]-phenylmethanone has a molecular weight of 219.28 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(ethylamino)oxolan-3-yl]-phenylmethanone is sourced from PubChem (CID 116588048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).