1-N-(4-acetylphenyl)-2-N-cyclopropylcyclopropane-1,2-dicarboxamide

C16H18N2O3 — CID 109130958

IUPAC1-N-(4-acetylphenyl)-2-N-cyclopropylcyclopropane-1,2-dicarboxamide
SMILESCC(=O)c1ccc(NC(=O)C2CC2C(=O)NC2CC2)cc1
InChIInChI=1S/C16H18N2O3/c1-9(19)10-2-4-11(5-3-10)17-15(20)13-8-14(13)16(21)18-12-6-7-12/h2-5,12-14H,6-8H2,1H3,(H,17,20)(H,18,21)
InChIKeyDVJFRZZTFUEBOJ-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.74
Rot. Bonds5

About 1-N-(4-acetylphenyl)-2-N-cyclopropylcyclopropane-1,2-dicarboxamide

1-N-(4-acetylphenyl)-2-N-cyclopropylcyclopropane-1,2-dicarboxamide (PubChem CID 109130958) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 1-N-(4-acetylphenyl)-2-N-cyclopropylcyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-(4-acetylphenyl)-2-N-cyclopropylcyclopropane-1,2-dicarboxamide
PubChem CID109130958
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name1-N-(4-acetylphenyl)-2-N-cyclopropylcyclopropane-1,2-dicarboxamide
SMILESCC(=O)c1ccc(NC(=O)C2CC2C(=O)NC2CC2)cc1
InChIInChI=1S/C16H18N2O3/c1-9(19)10-2-4-11(5-3-10)17-15(20)13-8-14(13)16(21)18-12-6-7-12/h2-5,12-14H,6-8H2,1H3,(H,17,20)(H,18,21)
InChIKeyDVJFRZZTFUEBOJ-UHFFFAOYSA-N
XLogP1.74
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-(4-acetamidophenyl)-2-N-(4-acetylphenyl)cyclopropane-1,2-dicarboxamide
CID 109143793
2-N-cyclopropyl-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109130904
2-N-cyclopropyl-1-N-(3,4-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109130913
4-N-(4-acetylphenyl)-1-N-cyclopropylbenzene-1,4-dicarboxamide
CID 109043399
ethyl 4-[[2-(cyclopentylcarbamoyl)cyclopropanecarbonyl]amino]benzoate
CID 109132150
1-N-(4-chlorophenyl)-2-N-cyclopentylcyclopropane-1,2-dicarboxamide
CID 109132096
ethyl 4-[[2-[(4-acetylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 109143804
2-N-cyclopropyl-1-N-(3,5-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109130914
2-N-(4-acetylphenyl)-1-N-(3,4-dimethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109143693
2-N-(4-acetylphenyl)-1-N-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropane-1,2-dicarboxamide
CID 109143802
1-(4-acetylphenyl)-3-(4-aminocyclohexyl)urea
CID 62319447
N-(4-acetylphenyl)cyclobutanecarboxamide
CID 877885

Frequently Asked Questions

What is the IUPAC name of 1-N-(4-acetylphenyl)-2-N-cyclopropylcyclopropane-1,2-dicarboxamide?
The IUPAC name of 1-N-(4-acetylphenyl)-2-N-cyclopropylcyclopropane-1,2-dicarboxamide (CID 109130958) is 1-N-(4-acetylphenyl)-2-N-cyclopropylcyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 1-N-(4-acetylphenyl)-2-N-cyclopropylcyclopropane-1,2-dicarboxamide?
The canonical SMILES for 1-N-(4-acetylphenyl)-2-N-cyclopropylcyclopropane-1,2-dicarboxamide is CC(=O)c1ccc(NC(=O)C2CC2C(=O)NC2CC2)cc1.
What is the InChIKey of 1-N-(4-acetylphenyl)-2-N-cyclopropylcyclopropane-1,2-dicarboxamide?
The InChIKey is DVJFRZZTFUEBOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-9(19)10-2-4-11(5-3-10)17-15(20)13-8-14(13)16(21)18-12-6-7-12/h2-5,12-14H,6-8H2,1H3,(H,17,20)(H,18,21).
What are the key properties of 1-N-(4-acetylphenyl)-2-N-cyclopropylcyclopropane-1,2-dicarboxamide?
1-N-(4-acetylphenyl)-2-N-cyclopropylcyclopropane-1,2-dicarboxamide has a molecular weight of 286.33 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-acetylphenyl)-2-N-cyclopropylcyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109130958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).