(3-ethoxyphenyl)-[4-(ethylamino)oxolan-3-yl]methanone

C15H21NO3 — CID 116588175

IUPAC(3-ethoxyphenyl)-[4-(ethylamino)oxolan-3-yl]methanone
SMILESCCNC1COCC1C(=O)c1cccc(OCC)c1
InChIInChI=1S/C15H21NO3/c1-3-16-14-10-18-9-13(14)15(17)11-6-5-7-12(8-11)19-4-2/h5-8,13-14,16H,3-4,9-10H2,1-2H3
InChIKeyHXZCIGVMGCPNFB-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.89
Rot. Bonds6

About (3-ethoxyphenyl)-[4-(ethylamino)oxolan-3-yl]methanone

(3-ethoxyphenyl)-[4-(ethylamino)oxolan-3-yl]methanone (PubChem CID 116588175) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is (3-ethoxyphenyl)-[4-(ethylamino)oxolan-3-yl]methanone.

Molecular Properties

Compound Name(3-ethoxyphenyl)-[4-(ethylamino)oxolan-3-yl]methanone
PubChem CID116588175
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name(3-ethoxyphenyl)-[4-(ethylamino)oxolan-3-yl]methanone
SMILESCCNC1COCC1C(=O)c1cccc(OCC)c1
InChIInChI=1S/C15H21NO3/c1-3-16-14-10-18-9-13(14)15(17)11-6-5-7-12(8-11)19-4-2/h5-8,13-14,16H,3-4,9-10H2,1-2H3
InChIKeyHXZCIGVMGCPNFB-UHFFFAOYSA-N
XLogP1.89
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(ethylamino)oxolan-3-yl]-phenylmethanone
CID 116588048
(3-propan-2-yloxyphenyl)-[4-(propylamino)oxolan-3-yl]methanone
CID 116587830
(4-ethoxyphenyl)-[4-(propylamino)oxolan-3-yl]methanone
CID 116587685
(5-ethoxy-3-pyridinyl)-[4-(propylamino)oxolan-3-yl]methanone
CID 116587893
(3-ethoxyphenyl)-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone
CID 171947025
(3-ethoxyphenyl)-morpholin-3-ylmethanone
CID 116576412
N-[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-ethoxybenzamide
CID 155914260
4-(ethylamino)-N-[(3-methoxyphenyl)methyl]oxolane-3-carboxamide
CID 66257709
[2-(aminomethyl)cyclopentyl]-(3-ethoxyphenyl)methanone
CID 116584431
1-benzofuran-2-yl-[4-(ethylamino)oxolan-3-yl]methanone
CID 114736917
methyl 3-ethoxybenzoate
CID 3267781
(3-ethoxyphenyl)-pyrrolidin-3-ylmethanone
CID 116568424

Frequently Asked Questions

What is the IUPAC name of (3-ethoxyphenyl)-[4-(ethylamino)oxolan-3-yl]methanone?
The IUPAC name of (3-ethoxyphenyl)-[4-(ethylamino)oxolan-3-yl]methanone (CID 116588175) is (3-ethoxyphenyl)-[4-(ethylamino)oxolan-3-yl]methanone.
What is the SMILES notation for (3-ethoxyphenyl)-[4-(ethylamino)oxolan-3-yl]methanone?
The canonical SMILES for (3-ethoxyphenyl)-[4-(ethylamino)oxolan-3-yl]methanone is CCNC1COCC1C(=O)c1cccc(OCC)c1.
What is the InChIKey of (3-ethoxyphenyl)-[4-(ethylamino)oxolan-3-yl]methanone?
The InChIKey is HXZCIGVMGCPNFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-3-16-14-10-18-9-13(14)15(17)11-6-5-7-12(8-11)19-4-2/h5-8,13-14,16H,3-4,9-10H2,1-2H3.
What are the key properties of (3-ethoxyphenyl)-[4-(ethylamino)oxolan-3-yl]methanone?
(3-ethoxyphenyl)-[4-(ethylamino)oxolan-3-yl]methanone has a molecular weight of 263.34 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethoxyphenyl)-[4-(ethylamino)oxolan-3-yl]methanone is sourced from PubChem (CID 116588175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).