(4-amino-3-methyloxolan-3-yl)-(2-ethoxyphenyl)methanone

C14H19NO3 — CID 116563003

IUPAC(4-amino-3-methyloxolan-3-yl)-(2-ethoxyphenyl)methanone
SMILESCCOc1ccccc1C(=O)C1(C)COCC1N
InChIInChI=1S/C14H19NO3/c1-3-18-11-7-5-4-6-10(11)13(16)14(2)9-17-8-12(14)15/h4-7,12H,3,8-9,15H2,1-2H3
InChIKeyBOXAVWLYEVVXLC-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.63
Rot. Bonds4

About (4-amino-3-methyloxolan-3-yl)-(2-ethoxyphenyl)methanone

(4-amino-3-methyloxolan-3-yl)-(2-ethoxyphenyl)methanone (PubChem CID 116563003) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is (4-amino-3-methyloxolan-3-yl)-(2-ethoxyphenyl)methanone.

Molecular Properties

Compound Name(4-amino-3-methyloxolan-3-yl)-(2-ethoxyphenyl)methanone
PubChem CID116563003
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name(4-amino-3-methyloxolan-3-yl)-(2-ethoxyphenyl)methanone
SMILESCCOc1ccccc1C(=O)C1(C)COCC1N
InChIInChI=1S/C14H19NO3/c1-3-18-11-7-5-4-6-10(11)13(16)14(2)9-17-8-12(14)15/h4-7,12H,3,8-9,15H2,1-2H3
InChIKeyBOXAVWLYEVVXLC-UHFFFAOYSA-N
XLogP1.63
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(4-ethoxyphenyl)-3-methyloxolane-3-carboxamide
CID 66248425
2-ethoxybenzoic acid;zinc
CID 172723273
2-ethoxybenzoyl bromide
CID 19426336
2-ethoxybenzenecarboperoxoic acid
CID 22314606
2-ethoxy-N-[[(2R)-oxiran-2-yl]methyl]benzamide
CID 97180721
2-amino-1-(2-ethoxyphenyl)butan-1-one
CID 116583912
(4-amino-3-methyloxolan-3-yl)-(cyclohexen-1-yl)methanone
CID 106655251
1-(2-ethoxyphenyl)-2-methylpropan-1-one
CID 62800406
ethane;1-(2-ethoxyphenyl)propan-1-one
CID 145111899
potassium;2-ethoxybenzoic acid;hydride
CID 175278645
4-amino-N-[2-(4-fluorophenoxy)ethyl]-N,3-dimethyloxolane-3-carboxamide
CID 66248870
3-(2-ethoxyphenyl)-3-oxopropanamide
CID 76851157

Frequently Asked Questions

What is the IUPAC name of (4-amino-3-methyloxolan-3-yl)-(2-ethoxyphenyl)methanone?
The IUPAC name of (4-amino-3-methyloxolan-3-yl)-(2-ethoxyphenyl)methanone (CID 116563003) is (4-amino-3-methyloxolan-3-yl)-(2-ethoxyphenyl)methanone.
What is the SMILES notation for (4-amino-3-methyloxolan-3-yl)-(2-ethoxyphenyl)methanone?
The canonical SMILES for (4-amino-3-methyloxolan-3-yl)-(2-ethoxyphenyl)methanone is CCOc1ccccc1C(=O)C1(C)COCC1N.
What is the InChIKey of (4-amino-3-methyloxolan-3-yl)-(2-ethoxyphenyl)methanone?
The InChIKey is BOXAVWLYEVVXLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-3-18-11-7-5-4-6-10(11)13(16)14(2)9-17-8-12(14)15/h4-7,12H,3,8-9,15H2,1-2H3.
What are the key properties of (4-amino-3-methyloxolan-3-yl)-(2-ethoxyphenyl)methanone?
(4-amino-3-methyloxolan-3-yl)-(2-ethoxyphenyl)methanone has a molecular weight of 249.31 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-methyloxolan-3-yl)-(2-ethoxyphenyl)methanone is sourced from PubChem (CID 116563003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).