1-N-(3-methylphenyl)-2-N-(oxolan-2-ylmethyl)cyclopropane-1,2-dicarboxamide

C17H22N2O3 — CID 109133527

IUPAC1-N-(3-methylphenyl)-2-N-(oxolan-2-ylmethyl)cyclopropane-1,2-dicarboxamide
SMILESCc1cccc(NC(=O)C2CC2C(=O)NCC2CCCO2)c1
InChIInChI=1S/C17H22N2O3/c1-11-4-2-5-12(8-11)19-17(21)15-9-14(15)16(20)18-10-13-6-3-7-22-13/h2,4-5,8,13-15H,3,6-7,9-10H2,1H3,(H,18,20)(H,19,21)
InChIKeyJFBIMTZNXCXWNJ-UHFFFAOYSA-N
MW302.37 g/mol
LogP1.86
Rot. Bonds5

About 1-N-(3-methylphenyl)-2-N-(oxolan-2-ylmethyl)cyclopropane-1,2-dicarboxamide

1-N-(3-methylphenyl)-2-N-(oxolan-2-ylmethyl)cyclopropane-1,2-dicarboxamide (PubChem CID 109133527) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is 1-N-(3-methylphenyl)-2-N-(oxolan-2-ylmethyl)cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-(3-methylphenyl)-2-N-(oxolan-2-ylmethyl)cyclopropane-1,2-dicarboxamide
PubChem CID109133527
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name1-N-(3-methylphenyl)-2-N-(oxolan-2-ylmethyl)cyclopropane-1,2-dicarboxamide
SMILESCc1cccc(NC(=O)C2CC2C(=O)NCC2CCCO2)c1
InChIInChI=1S/C17H22N2O3/c1-11-4-2-5-12(8-11)19-17(21)15-9-14(15)16(20)18-10-13-6-3-7-22-13/h2,4-5,8,13-15H,3,6-7,9-10H2,1H3,(H,18,20)(H,19,21)
InChIKeyJFBIMTZNXCXWNJ-UHFFFAOYSA-N
XLogP1.86
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-(3,4-difluorophenyl)-2-N-(oxolan-2-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109133630
1-N-(4-acetylphenyl)-2-N-(oxolan-2-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109133579
3-methyl-N-[3-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 17362725
1-N-(2,6-dichlorophenyl)-2-N-(oxolan-2-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109133618
2-(3-methylanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 54810604
2-[4-(3-methylphenyl)piperazine-1-carbonyl]-N-(oxolan-2-ylmethyl)cyclopropane-1-carboxamide
CID 109133498
2-N-(oxolan-2-ylmethyl)-1-N-(4-piperidin-1-ylphenyl)cyclopropane-1,2-dicarboxamide
CID 109133590
methyl 2-[[2-(oxolan-2-ylmethylcarbamoyl)cyclopropanecarbonyl]amino]benzoate
CID 109133582
1-N-[4-(diethylamino)-2-methylphenyl]-2-N-(oxolan-2-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109133622
2-N-(furan-2-ylmethyl)-1-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109134861
3-(cyclopropanecarbonylamino)-N-(oxolan-2-ylmethyl)benzamide
CID 17202280
3-methyl-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 17205629

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-methylphenyl)-2-N-(oxolan-2-ylmethyl)cyclopropane-1,2-dicarboxamide?
The IUPAC name of 1-N-(3-methylphenyl)-2-N-(oxolan-2-ylmethyl)cyclopropane-1,2-dicarboxamide (CID 109133527) is 1-N-(3-methylphenyl)-2-N-(oxolan-2-ylmethyl)cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 1-N-(3-methylphenyl)-2-N-(oxolan-2-ylmethyl)cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 1-N-(3-methylphenyl)-2-N-(oxolan-2-ylmethyl)cyclopropane-1,2-dicarboxamide is Cc1cccc(NC(=O)C2CC2C(=O)NCC2CCCO2)c1.
What is the InChIKey of 1-N-(3-methylphenyl)-2-N-(oxolan-2-ylmethyl)cyclopropane-1,2-dicarboxamide?
The InChIKey is JFBIMTZNXCXWNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-11-4-2-5-12(8-11)19-17(21)15-9-14(15)16(20)18-10-13-6-3-7-22-13/h2,4-5,8,13-15H,3,6-7,9-10H2,1H3,(H,18,20)(H,19,21).
What are the key properties of 1-N-(3-methylphenyl)-2-N-(oxolan-2-ylmethyl)cyclopropane-1,2-dicarboxamide?
1-N-(3-methylphenyl)-2-N-(oxolan-2-ylmethyl)cyclopropane-1,2-dicarboxamide has a molecular weight of 302.37 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-methylphenyl)-2-N-(oxolan-2-ylmethyl)cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109133527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).