3-N-cyclopropyl-1-N-(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide

C16H20N2O3 — CID 109050678

IUPAC3-N-cyclopropyl-1-N-(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide
SMILESO=C(NCC1CCCO1)c1cccc(C(=O)NC2CC2)c1
InChIInChI=1S/C16H20N2O3/c19-15(17-10-14-5-2-8-21-14)11-3-1-4-12(9-11)16(20)18-13-6-7-13/h1,3-4,9,13-14H,2,5-8,10H2,(H,17,19)(H,18,20)
InChIKeyGFAOFBBTDMSBNZ-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.49
Rot. Bonds5

About 3-N-cyclopropyl-1-N-(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide

3-N-cyclopropyl-1-N-(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide (PubChem CID 109050678) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 3-N-cyclopropyl-1-N-(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-cyclopropyl-1-N-(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide
PubChem CID109050678
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name3-N-cyclopropyl-1-N-(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide
SMILESO=C(NCC1CCCO1)c1cccc(C(=O)NC2CC2)c1
InChIInChI=1S/C16H20N2O3/c19-15(17-10-14-5-2-8-21-14)11-3-1-4-12(9-11)16(20)18-13-6-7-13/h1,3-4,9,13-14H,2,5-8,10H2,(H,17,19)(H,18,20)
InChIKeyGFAOFBBTDMSBNZ-UHFFFAOYSA-N
XLogP1.49
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(oxan-2-ylmethyl)benzamide
CID 55013985
5-N-cycloheptyl-3-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109103928
3-N-(4-acetamidophenyl)-1-N-(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109053089
3-N-(2,6-diethylphenyl)-1-N-(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109053055
3-methoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 669434
3-nitro-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 966750
3-(cyclopropanecarbonylamino)-N-(oxolan-2-ylmethyl)benzamide
CID 17202280
3-(methylsulfamoyl)-N-(oxolan-2-ylmethyl)benzamide
CID 51160994
3-[[(N-cyclopentyl-N'-methylcarbamimidoyl)amino]methyl]-N-(oxolan-2-ylmethyl)benzamide;hydroiodide
CID 110990068
3-(ethylsulfonylamino)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 36701842
N-[[(2R)-oxolan-2-yl]methyl]-3-thiophen-2-ylbenzamide
CID 7316196
3-methyl-N-[3-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 17362725

Frequently Asked Questions

What is the IUPAC name of 3-N-cyclopropyl-1-N-(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide?
The IUPAC name of 3-N-cyclopropyl-1-N-(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide (CID 109050678) is 3-N-cyclopropyl-1-N-(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-cyclopropyl-1-N-(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-cyclopropyl-1-N-(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide is O=C(NCC1CCCO1)c1cccc(C(=O)NC2CC2)c1.
What is the InChIKey of 3-N-cyclopropyl-1-N-(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide?
The InChIKey is GFAOFBBTDMSBNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c19-15(17-10-14-5-2-8-21-14)11-3-1-4-12(9-11)16(20)18-13-6-7-13/h1,3-4,9,13-14H,2,5-8,10H2,(H,17,19)(H,18,20).
What are the key properties of 3-N-cyclopropyl-1-N-(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide?
3-N-cyclopropyl-1-N-(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide has a molecular weight of 288.35 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-cyclopropyl-1-N-(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 109050678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).