2-N-cyclopropyl-1-N-(3,4-dimethylphenyl)cyclopropane-1,2-dicarboxamide

C16H20N2O2 — CID 109130913

IUPAC2-N-cyclopropyl-1-N-(3,4-dimethylphenyl)cyclopropane-1,2-dicarboxamide
SMILESCc1ccc(NC(=O)C2CC2C(=O)NC2CC2)cc1C
InChIInChI=1S/C16H20N2O2/c1-9-3-4-12(7-10(9)2)18-16(20)14-8-13(14)15(19)17-11-5-6-11/h3-4,7,11,13-14H,5-6,8H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyPBFRMPMMQUQCIR-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.16
Rot. Bonds4

About 2-N-cyclopropyl-1-N-(3,4-dimethylphenyl)cyclopropane-1,2-dicarboxamide

2-N-cyclopropyl-1-N-(3,4-dimethylphenyl)cyclopropane-1,2-dicarboxamide (PubChem CID 109130913) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-N-cyclopropyl-1-N-(3,4-dimethylphenyl)cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-cyclopropyl-1-N-(3,4-dimethylphenyl)cyclopropane-1,2-dicarboxamide
PubChem CID109130913
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name2-N-cyclopropyl-1-N-(3,4-dimethylphenyl)cyclopropane-1,2-dicarboxamide
SMILESCc1ccc(NC(=O)C2CC2C(=O)NC2CC2)cc1C
InChIInChI=1S/C16H20N2O2/c1-9-3-4-12(7-10(9)2)18-16(20)14-8-13(14)15(19)17-11-5-6-11/h3-4,7,11,13-14H,5-6,8H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyPBFRMPMMQUQCIR-UHFFFAOYSA-N
XLogP2.16
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-cyclopropyl-1-N-(3,5-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109130914
1-N-(3-chloro-4-methoxyphenyl)-2-N-cyclopropylcyclopropane-1,2-dicarboxamide
CID 109130939
1-N-(4-acetylphenyl)-2-N-cyclopropylcyclopropane-1,2-dicarboxamide
CID 109130958
1-N-(3,4-dimethylphenyl)-2-N-(3-fluorophenyl)cyclopropane-1,2-dicarboxamide
CID 109141714
2-N-cyclopropyl-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109130904
2-N-cyclopropyl-1-N-(2,6-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109130915
2-N-cyclopropyl-1-N-(3-fluorophenyl)cyclopropane-1,2-dicarboxamide
CID 109130976
2-N-cyclopentyl-1-N-(3,4-dichlorophenyl)cyclopropane-1,2-dicarboxamide
CID 109132157
1-N-(2,4-difluorophenyl)-2-N-(3,4-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141721
2-(cyclopropylcarbamoylamino)-N-(3,4-dimethylphenyl)acetamide
CID 47158827
1-N-(4-chlorophenyl)-2-N-cyclopentylcyclopropane-1,2-dicarboxamide
CID 109132096
N-cyclopropyl-1-[2-(3,4-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16909883

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclopropyl-1-N-(3,4-dimethylphenyl)cyclopropane-1,2-dicarboxamide?
The IUPAC name of 2-N-cyclopropyl-1-N-(3,4-dimethylphenyl)cyclopropane-1,2-dicarboxamide (CID 109130913) is 2-N-cyclopropyl-1-N-(3,4-dimethylphenyl)cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 2-N-cyclopropyl-1-N-(3,4-dimethylphenyl)cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 2-N-cyclopropyl-1-N-(3,4-dimethylphenyl)cyclopropane-1,2-dicarboxamide is Cc1ccc(NC(=O)C2CC2C(=O)NC2CC2)cc1C.
What is the InChIKey of 2-N-cyclopropyl-1-N-(3,4-dimethylphenyl)cyclopropane-1,2-dicarboxamide?
The InChIKey is PBFRMPMMQUQCIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-9-3-4-12(7-10(9)2)18-16(20)14-8-13(14)15(19)17-11-5-6-11/h3-4,7,11,13-14H,5-6,8H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of 2-N-cyclopropyl-1-N-(3,4-dimethylphenyl)cyclopropane-1,2-dicarboxamide?
2-N-cyclopropyl-1-N-(3,4-dimethylphenyl)cyclopropane-1,2-dicarboxamide has a molecular weight of 272.35 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclopropyl-1-N-(3,4-dimethylphenyl)cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109130913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).