1-N-(2,5-dimethylphenyl)-2-N-(2-propan-2-yloxyphenyl)cyclopropane-1,2-dicarboxamide

C22H26N2O3 — CID 109141610

IUPAC1-N-(2,5-dimethylphenyl)-2-N-(2-propan-2-yloxyphenyl)cyclopropane-1,2-dicarboxamide
SMILESCc1ccc(C)c(NC(=O)C2CC2C(=O)Nc2ccccc2OC(C)C)c1
InChIInChI=1S/C22H26N2O3/c1-13(2)27-20-8-6-5-7-18(20)23-21(25)16-12-17(16)22(26)24-19-11-14(3)9-10-15(19)4/h5-11,13,16-17H,12H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyRLENMBNHVXHQCD-UHFFFAOYSA-N
MW366.46 g/mol
LogP4.30
Rot. Bonds6

About 1-N-(2,5-dimethylphenyl)-2-N-(2-propan-2-yloxyphenyl)cyclopropane-1,2-dicarboxamide

1-N-(2,5-dimethylphenyl)-2-N-(2-propan-2-yloxyphenyl)cyclopropane-1,2-dicarboxamide (PubChem CID 109141610) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is 1-N-(2,5-dimethylphenyl)-2-N-(2-propan-2-yloxyphenyl)cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-(2,5-dimethylphenyl)-2-N-(2-propan-2-yloxyphenyl)cyclopropane-1,2-dicarboxamide
PubChem CID109141610
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name1-N-(2,5-dimethylphenyl)-2-N-(2-propan-2-yloxyphenyl)cyclopropane-1,2-dicarboxamide
SMILESCc1ccc(C)c(NC(=O)C2CC2C(=O)Nc2ccccc2OC(C)C)c1
InChIInChI=1S/C22H26N2O3/c1-13(2)27-20-8-6-5-7-18(20)23-21(25)16-12-17(16)22(26)24-19-11-14(3)9-10-15(19)4/h5-11,13,16-17H,12H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyRLENMBNHVXHQCD-UHFFFAOYSA-N
XLogP4.30
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-(2,3-dimethylphenyl)-2-N-(2-propan-2-yloxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109141935
2-N-(2-bromophenyl)-1-N-(2,5-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141632
2-N-(2-methylpropyl)-1-N-(2-propan-2-yloxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109131536
2-N-(2,4-dimethoxyphenyl)-1-N-(2,5-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141613
1-N-(2,5-dimethylphenyl)-2-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141010
2-N-(1,3-benzodioxol-5-yl)-1-N-(2-propan-2-yloxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109143609
2-N-(3-chloro-2-methylphenyl)-1-N-(2,5-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141595
1-N-butan-2-yl-2-N-(2,5-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109131692
1-N-(2,5-dimethylphenyl)-2-N-(4-fluorophenyl)cyclopropane-1,2-dicarboxamide
CID 109141591
4-methyl-N-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 55229769
2-(2-chlorophenyl)-N-(2-propan-2-yloxyphenyl)cyclopropane-1-carboxamide
CID 55689122
1-N-(2,4-dimethylphenyl)-1-N'-(2-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108981252

Frequently Asked Questions

What is the IUPAC name of 1-N-(2,5-dimethylphenyl)-2-N-(2-propan-2-yloxyphenyl)cyclopropane-1,2-dicarboxamide?
The IUPAC name of 1-N-(2,5-dimethylphenyl)-2-N-(2-propan-2-yloxyphenyl)cyclopropane-1,2-dicarboxamide (CID 109141610) is 1-N-(2,5-dimethylphenyl)-2-N-(2-propan-2-yloxyphenyl)cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 1-N-(2,5-dimethylphenyl)-2-N-(2-propan-2-yloxyphenyl)cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 1-N-(2,5-dimethylphenyl)-2-N-(2-propan-2-yloxyphenyl)cyclopropane-1,2-dicarboxamide is Cc1ccc(C)c(NC(=O)C2CC2C(=O)Nc2ccccc2OC(C)C)c1.
What is the InChIKey of 1-N-(2,5-dimethylphenyl)-2-N-(2-propan-2-yloxyphenyl)cyclopropane-1,2-dicarboxamide?
The InChIKey is RLENMBNHVXHQCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-13(2)27-20-8-6-5-7-18(20)23-21(25)16-12-17(16)22(26)24-19-11-14(3)9-10-15(19)4/h5-11,13,16-17H,12H2,1-4H3,(H,23,25)(H,24,26).
What are the key properties of 1-N-(2,5-dimethylphenyl)-2-N-(2-propan-2-yloxyphenyl)cyclopropane-1,2-dicarboxamide?
1-N-(2,5-dimethylphenyl)-2-N-(2-propan-2-yloxyphenyl)cyclopropane-1,2-dicarboxamide has a molecular weight of 366.46 g/mol, XLogP of 4.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2,5-dimethylphenyl)-2-N-(2-propan-2-yloxyphenyl)cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109141610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).