3-N-(oxolan-3-yl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide

C15H20N2O3 — CID 154739900

IUPAC3-N-(oxolan-3-yl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide
SMILESCC(C)N(C(=O)c1cccc(C(N)=O)c1)C1CCOC1
InChIInChI=1S/C15H20N2O3/c1-10(2)17(13-6-7-20-9-13)15(19)12-5-3-4-11(8-12)14(16)18/h3-5,8,10,13H,6-7,9H2,1-2H3,(H2,16,18)
InChIKeyWXUZWGGXEBLECN-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.42
Rot. Bonds4

About 3-N-(oxolan-3-yl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide

3-N-(oxolan-3-yl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide (PubChem CID 154739900) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-N-(oxolan-3-yl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(oxolan-3-yl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide
PubChem CID154739900
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name3-N-(oxolan-3-yl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide
SMILESCC(C)N(C(=O)c1cccc(C(N)=O)c1)C1CCOC1
InChIInChI=1S/C15H20N2O3/c1-10(2)17(13-6-7-20-9-13)15(19)12-5-3-4-11(8-12)14(16)18/h3-5,8,10,13H,6-7,9H2,1-2H3,(H2,16,18)
InChIKeyWXUZWGGXEBLECN-UHFFFAOYSA-N
XLogP1.42
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-oxo-N-(oxolan-3-yl)-N-propan-2-yl-1H-quinoline-3-carboxamide
CID 136544168
3-(3-aminoprop-1-ynyl)-N-methyl-N-(oxolan-3-yl)benzamide
CID 82748470
3-(3-aminophenyl)-1-methyl-1-(oxolan-3-yl)urea
CID 82739651
4-amino-3-bromo-N-methyl-N-(oxolan-3-yl)benzamide
CID 82737848
N-methyl-N-(oxolan-3-yl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
CID 104615220
2-[3-[methyl(oxolan-3-yl)carbamoyl]phenoxy]acetic acid
CID 120691080
3-[cyclopentyl(methyl)amino]benzamide
CID 66960912
N-cyclopropyl-3-methyl-N-(oxan-4-yl)benzamide
CID 110873037
2-amino-5-[methyl(oxolan-3-yl)amino]benzamide
CID 82749581
2-methyl-3-[methyl(oxolan-3-yl)amino]-1-phenylpropan-1-one
CID 82743357
3-[3-(2-hydroxycyclopentyl)morpholine-4-carbonyl]benzamide
CID 128987896
3-[1-(dimethylsulfamoyl)piperidin-4-yl]oxy-N-methyl-N-[(3R)-oxolan-3-yl]benzamide
CID 42393600

Frequently Asked Questions

What is the IUPAC name of 3-N-(oxolan-3-yl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide?
The IUPAC name of 3-N-(oxolan-3-yl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide (CID 154739900) is 3-N-(oxolan-3-yl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-(oxolan-3-yl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-(oxolan-3-yl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide is CC(C)N(C(=O)c1cccc(C(N)=O)c1)C1CCOC1.
What is the InChIKey of 3-N-(oxolan-3-yl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide?
The InChIKey is WXUZWGGXEBLECN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-10(2)17(13-6-7-20-9-13)15(19)12-5-3-4-11(8-12)14(16)18/h3-5,8,10,13H,6-7,9H2,1-2H3,(H2,16,18).
What are the key properties of 3-N-(oxolan-3-yl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide?
3-N-(oxolan-3-yl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide has a molecular weight of 276.34 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(oxolan-3-yl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 154739900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).