(4-amino-3-methyloxolan-3-yl)-(4-ethylphenyl)methanone

C14H19NO2 — CID 116563259

IUPAC(4-amino-3-methyloxolan-3-yl)-(4-ethylphenyl)methanone
SMILESCCc1ccc(C(=O)C2(C)COCC2N)cc1
InChIInChI=1S/C14H19NO2/c1-3-10-4-6-11(7-5-10)13(16)14(2)9-17-8-12(14)15/h4-7,12H,3,8-9,15H2,1-2H3
InChIKeyQCPDMDJJKMGWHS-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.80
Rot. Bonds3

About (4-amino-3-methyloxolan-3-yl)-(4-ethylphenyl)methanone

(4-amino-3-methyloxolan-3-yl)-(4-ethylphenyl)methanone (PubChem CID 116563259) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is (4-amino-3-methyloxolan-3-yl)-(4-ethylphenyl)methanone.

Molecular Properties

Compound Name(4-amino-3-methyloxolan-3-yl)-(4-ethylphenyl)methanone
PubChem CID116563259
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name(4-amino-3-methyloxolan-3-yl)-(4-ethylphenyl)methanone
SMILESCCc1ccc(C(=O)C2(C)COCC2N)cc1
InChIInChI=1S/C14H19NO2/c1-3-10-4-6-11(7-5-10)13(16)14(2)9-17-8-12(14)15/h4-7,12H,3,8-9,15H2,1-2H3
InChIKeyQCPDMDJJKMGWHS-UHFFFAOYSA-N
XLogP1.80
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-amino-3-methyloxolan-3-yl)-(4-ethylphenyl)methanone?
The IUPAC name of (4-amino-3-methyloxolan-3-yl)-(4-ethylphenyl)methanone (CID 116563259) is (4-amino-3-methyloxolan-3-yl)-(4-ethylphenyl)methanone.
What is the SMILES notation for (4-amino-3-methyloxolan-3-yl)-(4-ethylphenyl)methanone?
The canonical SMILES for (4-amino-3-methyloxolan-3-yl)-(4-ethylphenyl)methanone is CCc1ccc(C(=O)C2(C)COCC2N)cc1.
What is the InChIKey of (4-amino-3-methyloxolan-3-yl)-(4-ethylphenyl)methanone?
The InChIKey is QCPDMDJJKMGWHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-3-10-4-6-11(7-5-10)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)-(4-ethylphenyl)methanone?
(4-amino-3-methyloxolan-3-yl)-(4-ethylphenyl)methanone has a molecular weight of 233.31 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-methyloxolan-3-yl)-(4-ethylphenyl)methanone is sourced from PubChem (CID 116563259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).