4-methoxy-3-[1-(oxolan-3-yl)ethylamino]benzamide

C14H20N2O3 — CID 115928742

IUPAC4-methoxy-3-[1-(oxolan-3-yl)ethylamino]benzamide
SMILESCOc1ccc(C(N)=O)cc1NC(C)C1CCOC1
InChIInChI=1S/C14H20N2O3/c1-9(11-5-6-19-8-11)16-12-7-10(14(15)17)3-4-13(12)18-2/h3-4,7,9,11,16H,5-6,8H2,1-2H3,(H2,15,17)
InChIKeyATFJVACZXPGINR-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.63
Rot. Bonds5

About 4-methoxy-3-[1-(oxolan-3-yl)ethylamino]benzamide

4-methoxy-3-[1-(oxolan-3-yl)ethylamino]benzamide (PubChem CID 115928742) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 4-methoxy-3-[1-(oxolan-3-yl)ethylamino]benzamide.

Molecular Properties

Compound Name4-methoxy-3-[1-(oxolan-3-yl)ethylamino]benzamide
PubChem CID115928742
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name4-methoxy-3-[1-(oxolan-3-yl)ethylamino]benzamide
SMILESCOc1ccc(C(N)=O)cc1NC(C)C1CCOC1
InChIInChI=1S/C14H20N2O3/c1-9(11-5-6-19-8-11)16-12-7-10(14(15)17)3-4-13(12)18-2/h3-4,7,9,11,16H,5-6,8H2,1-2H3,(H2,15,17)
InChIKeyATFJVACZXPGINR-UHFFFAOYSA-N
XLogP1.63
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[1-(oxolan-3-yl)ethylamino]benzamide?
The IUPAC name of 4-methoxy-3-[1-(oxolan-3-yl)ethylamino]benzamide (CID 115928742) is 4-methoxy-3-[1-(oxolan-3-yl)ethylamino]benzamide.
What is the SMILES notation for 4-methoxy-3-[1-(oxolan-3-yl)ethylamino]benzamide?
The canonical SMILES for 4-methoxy-3-[1-(oxolan-3-yl)ethylamino]benzamide is COc1ccc(C(N)=O)cc1NC(C)C1CCOC1.
What is the InChIKey of 4-methoxy-3-[1-(oxolan-3-yl)ethylamino]benzamide?
The InChIKey is ATFJVACZXPGINR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-9(11-5-6-19-8-11)16-12-7-10(14(15)17)3-4-13(12)18-2/h3-4,7,9,11,16H,5-6,8H2,1-2H3,(H2,15,17).
What are the key properties of 4-methoxy-3-[1-(oxolan-3-yl)ethylamino]benzamide?
4-methoxy-3-[1-(oxolan-3-yl)ethylamino]benzamide has a molecular weight of 264.32 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[1-(oxolan-3-yl)ethylamino]benzamide is sourced from PubChem (CID 115928742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).