3-acetamido-N-[2-(oxolan-2-yl)ethyl]benzamide

C15H20N2O3 — CID 110745062

IUPAC3-acetamido-N-[2-(oxolan-2-yl)ethyl]benzamide
SMILESCC(=O)Nc1cccc(C(=O)NCCC2CCCO2)c1
InChIInChI=1S/C15H20N2O3/c1-11(18)17-13-5-2-4-12(10-13)15(19)16-8-7-14-6-3-9-20-14/h2,4-5,10,14H,3,6-9H2,1H3,(H,16,19)(H,17,18)
InChIKeyHDNOTEUMBSMXEW-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.94
Rot. Bonds5

About 3-acetamido-N-[2-(oxolan-2-yl)ethyl]benzamide

3-acetamido-N-[2-(oxolan-2-yl)ethyl]benzamide (PubChem CID 110745062) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-acetamido-N-[2-(oxolan-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-acetamido-N-[2-(oxolan-2-yl)ethyl]benzamide
PubChem CID110745062
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name3-acetamido-N-[2-(oxolan-2-yl)ethyl]benzamide
SMILESCC(=O)Nc1cccc(C(=O)NCCC2CCCO2)c1
InChIInChI=1S/C15H20N2O3/c1-11(18)17-13-5-2-4-12(10-13)15(19)16-8-7-14-6-3-9-20-14/h2,4-5,10,14H,3,6-9H2,1H3,(H,16,19)(H,17,18)
InChIKeyHDNOTEUMBSMXEW-UHFFFAOYSA-N
XLogP1.94
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[2-(oxolan-2-yl)ethylcarbamothioylamino]phenyl]acetamide
CID 60733960
methyl 3-[2-(oxolan-2-yl)ethylcarbamoyl]benzoate
CID 51086480
3-amino-N-[2-(oxolan-2-yl)ethyl]benzamide
CID 54915842
3-(dimethylamino)-N-[2-[(2R)-oxolan-2-yl]ethyl]benzamide
CID 94022695
3-N-(4-acetamidophenyl)-1-N-(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109053089
3-acetamido-N-[3-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 46802911
3-methyl-N-[3-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 17362725
3-amino-4-methyl-N-[2-(oxolan-2-yl)ethyl]benzamide
CID 54915859
3-iodo-N-[2-(oxan-2-yl)ethyl]benzamide
CID 103993198
3-(cyclopropanecarbonylamino)-N-(oxolan-2-ylmethyl)benzamide
CID 17202280
3-[[2-(methylamino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54820604
N-[3-(2-cyclopentylethylcarbamoyl)phenyl]oxolane-2-carboxamide
CID 42884229

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[2-(oxolan-2-yl)ethyl]benzamide?
The IUPAC name of 3-acetamido-N-[2-(oxolan-2-yl)ethyl]benzamide (CID 110745062) is 3-acetamido-N-[2-(oxolan-2-yl)ethyl]benzamide.
What is the SMILES notation for 3-acetamido-N-[2-(oxolan-2-yl)ethyl]benzamide?
The canonical SMILES for 3-acetamido-N-[2-(oxolan-2-yl)ethyl]benzamide is CC(=O)Nc1cccc(C(=O)NCCC2CCCO2)c1.
What is the InChIKey of 3-acetamido-N-[2-(oxolan-2-yl)ethyl]benzamide?
The InChIKey is HDNOTEUMBSMXEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-11(18)17-13-5-2-4-12(10-13)15(19)16-8-7-14-6-3-9-20-14/h2,4-5,10,14H,3,6-9H2,1H3,(H,16,19)(H,17,18).
What are the key properties of 3-acetamido-N-[2-(oxolan-2-yl)ethyl]benzamide?
3-acetamido-N-[2-(oxolan-2-yl)ethyl]benzamide has a molecular weight of 276.34 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[2-(oxolan-2-yl)ethyl]benzamide is sourced from PubChem (CID 110745062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).