2-N-cyclopropyl-1-N-(3,5-dimethylphenyl)cyclopropane-1,2-dicarboxamide

C16H20N2O2 — CID 109130914

IUPAC2-N-cyclopropyl-1-N-(3,5-dimethylphenyl)cyclopropane-1,2-dicarboxamide
SMILESCc1cc(C)cc(NC(=O)C2CC2C(=O)NC2CC2)c1
InChIInChI=1S/C16H20N2O2/c1-9-5-10(2)7-12(6-9)18-16(20)14-8-13(14)15(19)17-11-3-4-11/h5-7,11,13-14H,3-4,8H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyGSKMZLAOELQJQD-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.16
Rot. Bonds4

About 2-N-cyclopropyl-1-N-(3,5-dimethylphenyl)cyclopropane-1,2-dicarboxamide

2-N-cyclopropyl-1-N-(3,5-dimethylphenyl)cyclopropane-1,2-dicarboxamide (PubChem CID 109130914) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-N-cyclopropyl-1-N-(3,5-dimethylphenyl)cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-cyclopropyl-1-N-(3,5-dimethylphenyl)cyclopropane-1,2-dicarboxamide
PubChem CID109130914
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name2-N-cyclopropyl-1-N-(3,5-dimethylphenyl)cyclopropane-1,2-dicarboxamide
SMILESCc1cc(C)cc(NC(=O)C2CC2C(=O)NC2CC2)c1
InChIInChI=1S/C16H20N2O2/c1-9-5-10(2)7-12(6-9)18-16(20)14-8-13(14)15(19)17-11-3-4-11/h5-7,11,13-14H,3-4,8H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyGSKMZLAOELQJQD-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-(3,4-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109130913
2-N-cyclopropyl-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109130904
1-N-(4-acetylphenyl)-2-N-cyclopropylcyclopropane-1,2-dicarboxamide
CID 109130958
N-(3,5-dimethylphenyl)-2-hydroxycyclopentane-1-carboxamide
CID 110013635
2-N-cyclopropyl-1-N-(2,6-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109130915
(1R,2S,4S)-N-(3,5-dimethylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 11905183
2-N-cyclopropyl-1-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1,2-dicarboxamide
CID 109131011
2-N-cyclopropyl-1-N-(3-fluorophenyl)cyclopropane-1,2-dicarboxamide
CID 109130976
N-[(4R,5S)-4,5-dihydroxycycloheptyl]-N'-(3,5-dimethylphenyl)oxamide
CID 154784991
1-N-(2-bromo-4-methylphenyl)-2-N-cyclopentylcyclopropane-1,2-dicarboxamide
CID 109132143
1-N-(3,5-dimethylphenyl)-2-N-[(4-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109135500
1-N-(3-chloro-4-methoxyphenyl)-2-N-cyclopropylcyclopropane-1,2-dicarboxamide
CID 109130939

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclopropyl-1-N-(3,5-dimethylphenyl)cyclopropane-1,2-dicarboxamide?
The IUPAC name of 2-N-cyclopropyl-1-N-(3,5-dimethylphenyl)cyclopropane-1,2-dicarboxamide (CID 109130914) is 2-N-cyclopropyl-1-N-(3,5-dimethylphenyl)cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 2-N-cyclopropyl-1-N-(3,5-dimethylphenyl)cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 2-N-cyclopropyl-1-N-(3,5-dimethylphenyl)cyclopropane-1,2-dicarboxamide is Cc1cc(C)cc(NC(=O)C2CC2C(=O)NC2CC2)c1.
What is the InChIKey of 2-N-cyclopropyl-1-N-(3,5-dimethylphenyl)cyclopropane-1,2-dicarboxamide?
The InChIKey is GSKMZLAOELQJQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-9-5-10(2)7-12(6-9)18-16(20)14-8-13(14)15(19)17-11-3-4-11/h5-7,11,13-14H,3-4,8H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of 2-N-cyclopropyl-1-N-(3,5-dimethylphenyl)cyclopropane-1,2-dicarboxamide?
2-N-cyclopropyl-1-N-(3,5-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-(3,5-dimethylphenyl)cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109130914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).