4-ethoxy-N-(oxolan-2-ylmethyl)benzamide

C14H19NO3 — CID 2850672

IUPAC4-ethoxy-N-(oxolan-2-ylmethyl)benzamide
SMILESCCOc1ccc(C(=O)NCC2CCCO2)cc1
InChIInChI=1S/C14H19NO3/c1-2-17-12-7-5-11(6-8-12)14(16)15-10-13-4-3-9-18-13/h5-8,13H,2-4,9-10H2,1H3,(H,15,16)
InChIKeyBRXPDXWJJZEAOH-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.99
Rot. Bonds5

About 4-ethoxy-N-(oxolan-2-ylmethyl)benzamide

4-ethoxy-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 2850672) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 4-ethoxy-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-ethoxy-N-(oxolan-2-ylmethyl)benzamide
PubChem CID2850672
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name4-ethoxy-N-(oxolan-2-ylmethyl)benzamide
SMILESCCOc1ccc(C(=O)NCC2CCCO2)cc1
InChIInChI=1S/C14H19NO3/c1-2-17-12-7-5-11(6-8-12)14(16)15-10-13-4-3-9-18-13/h5-8,13H,2-4,9-10H2,1H3,(H,15,16)
InChIKeyBRXPDXWJJZEAOH-UHFFFAOYSA-N
XLogP1.99
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-ethoxyethoxy)-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 41229837
4-[(4-ethoxyphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 26871354
4-[[2-(4-ethoxyanilino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54811294
4-(2-methylpropoxy)-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 7394154
[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884918
4-(2-methylprop-2-enoxy)-N-(oxolan-2-ylmethyl)benzamide
CID 6472346
4-ethoxy-N-[2-oxo-2-[4-(oxolan-2-ylmethylcarbamoylamino)anilino]ethyl]benzamide
CID 55527840
5-[(4-ethoxyphenoxy)methyl]-N-[[(2R)-oxolan-2-yl]methyl]furan-2-carboxamide
CID 756937
5-(4-ethoxyphenyl)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 42845777
4-[(4-tert-butylphenoxy)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 6914711
2-(4-ethoxyanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 54811659
4-[(4-bromophenoxy)methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 1226327

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 4-ethoxy-N-(oxolan-2-ylmethyl)benzamide (CID 2850672) is 4-ethoxy-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 4-ethoxy-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 4-ethoxy-N-(oxolan-2-ylmethyl)benzamide is CCOc1ccc(C(=O)NCC2CCCO2)cc1.
What is the InChIKey of 4-ethoxy-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is BRXPDXWJJZEAOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-2-17-12-7-5-11(6-8-12)14(16)15-10-13-4-3-9-18-13/h5-8,13H,2-4,9-10H2,1H3,(H,15,16).
What are the key properties of 4-ethoxy-N-(oxolan-2-ylmethyl)benzamide?
4-ethoxy-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 249.31 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 2850672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).