2-N-(4-acetylphenyl)-1-N-(3,4-dimethoxyphenyl)cyclopropane-1,2-dicarboxamide

C21H22N2O5 — CID 109143693

IUPAC2-N-(4-acetylphenyl)-1-N-(3,4-dimethoxyphenyl)cyclopropane-1,2-dicarboxamide
SMILESCOc1ccc(NC(=O)C2CC2C(=O)Nc2ccc(C(C)=O)cc2)cc1OC
InChIInChI=1S/C21H22N2O5/c1-12(24)13-4-6-14(7-5-13)22-20(25)16-11-17(16)21(26)23-15-8-9-18(27-2)19(10-15)28-3/h4-10,16-17H,11H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyFJCXUBCUAVPUQE-UHFFFAOYSA-N
MW382.42 g/mol
LogP3.12
Rot. Bonds7

About 2-N-(4-acetylphenyl)-1-N-(3,4-dimethoxyphenyl)cyclopropane-1,2-dicarboxamide

2-N-(4-acetylphenyl)-1-N-(3,4-dimethoxyphenyl)cyclopropane-1,2-dicarboxamide (PubChem CID 109143693) has the molecular formula C21H22N2O5 and a molecular weight of 382.42 g/mol. Its IUPAC name is 2-N-(4-acetylphenyl)-1-N-(3,4-dimethoxyphenyl)cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-(4-acetylphenyl)-1-N-(3,4-dimethoxyphenyl)cyclopropane-1,2-dicarboxamide
PubChem CID109143693
Molecular FormulaC21H22N2O5
Molecular Weight382.42 g/mol
Exact Mass382.15
IUPAC Name2-N-(4-acetylphenyl)-1-N-(3,4-dimethoxyphenyl)cyclopropane-1,2-dicarboxamide
SMILESCOc1ccc(NC(=O)C2CC2C(=O)Nc2ccc(C(C)=O)cc2)cc1OC
InChIInChI=1S/C21H22N2O5/c1-12(24)13-4-6-14(7-5-13)22-20(25)16-11-17(16)21(26)23-15-8-9-18(27-2)19(10-15)28-3/h4-10,16-17H,11H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyFJCXUBCUAVPUQE-UHFFFAOYSA-N
XLogP3.12
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3,4-dimethoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 60792514
1-N-(4-acetamidophenyl)-2-N-(4-acetylphenyl)cyclopropane-1,2-dicarboxamide
CID 109143793
2-N-(3-chlorophenyl)-1-N-(3,4-dimethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109142885
2-N-(3,4-dimethoxyphenyl)-1-N-(2,6-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141860
1-N-(3,4-dimethoxyphenyl)-2-N-[2-(dimethylamino)ethyl]cyclopropane-1,2-dicarboxamide
CID 109133755
1-N-(3-chloro-4-methoxyphenyl)-2-N-(4-chlorophenyl)cyclopropane-1,2-dicarboxamide
CID 109142934
2-[(4-ethoxy-3-methoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 60791430
1-N-(3-chloro-4-methoxyphenyl)-2-N-(4-methoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109143254
2-N-(4-acetylphenyl)-1-N-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropane-1,2-dicarboxamide
CID 109143802
1-N-(4-acetylphenyl)-2-N-cyclopropylcyclopropane-1,2-dicarboxamide
CID 109130958
ethyl 4-[[2-[(4-acetylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 109143804
2-[(4-fluoro-3-methoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 114837407

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-acetylphenyl)-1-N-(3,4-dimethoxyphenyl)cyclopropane-1,2-dicarboxamide?
The IUPAC name of 2-N-(4-acetylphenyl)-1-N-(3,4-dimethoxyphenyl)cyclopropane-1,2-dicarboxamide (CID 109143693) is 2-N-(4-acetylphenyl)-1-N-(3,4-dimethoxyphenyl)cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 2-N-(4-acetylphenyl)-1-N-(3,4-dimethoxyphenyl)cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 2-N-(4-acetylphenyl)-1-N-(3,4-dimethoxyphenyl)cyclopropane-1,2-dicarboxamide is COc1ccc(NC(=O)C2CC2C(=O)Nc2ccc(C(C)=O)cc2)cc1OC.
What is the InChIKey of 2-N-(4-acetylphenyl)-1-N-(3,4-dimethoxyphenyl)cyclopropane-1,2-dicarboxamide?
The InChIKey is FJCXUBCUAVPUQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O5/c1-12(24)13-4-6-14(7-5-13)22-20(25)16-11-17(16)21(26)23-15-8-9-18(27-2)19(10-15)28-3/h4-10,16-17H,11H2,1-3H3,(H,22,25)(H,23,26).
What are the key properties of 2-N-(4-acetylphenyl)-1-N-(3,4-dimethoxyphenyl)cyclopropane-1,2-dicarboxamide?
2-N-(4-acetylphenyl)-1-N-(3,4-dimethoxyphenyl)cyclopropane-1,2-dicarboxamide has a molecular weight of 382.42 g/mol, XLogP of 3.12, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-acetylphenyl)-1-N-(3,4-dimethoxyphenyl)cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109143693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).