1-N-(4-acetamidophenyl)-2-N-(4-acetylphenyl)cyclopropane-1,2-dicarboxamide

C21H21N3O4 — CID 109143793

IUPAC1-N-(4-acetamidophenyl)-2-N-(4-acetylphenyl)cyclopropane-1,2-dicarboxamide
SMILESCC(=O)Nc1ccc(NC(=O)C2CC2C(=O)Nc2ccc(C(C)=O)cc2)cc1
InChIInChI=1S/C21H21N3O4/c1-12(25)14-3-5-16(6-4-14)23-20(27)18-11-19(18)21(28)24-17-9-7-15(8-10-17)22-13(2)26/h3-10,18-19H,11H2,1-2H3,(H,22,26)(H,23,27)(H,24,28)
InChIKeyDYTZJQACHYAPDR-UHFFFAOYSA-N
MW379.42 g/mol
LogP3.06
Rot. Bonds6

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

1-N-(4-acetamidophenyl)-2-N-(4-acetylphenyl)cyclopropane-1,2-dicarboxamide (PubChem CID 109143793) has the molecular formula C21H21N3O4 and a molecular weight of 379.42 g/mol. Its IUPAC name is 1-N-(4-acetamidophenyl)-2-N-(4-acetylphenyl)cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-(4-acetamidophenyl)-2-N-(4-acetylphenyl)cyclopropane-1,2-dicarboxamide
PubChem CID109143793
Molecular FormulaC21H21N3O4
Molecular Weight379.42 g/mol
Exact Mass379.15
IUPAC Name1-N-(4-acetamidophenyl)-2-N-(4-acetylphenyl)cyclopropane-1,2-dicarboxamide
SMILESCC(=O)Nc1ccc(NC(=O)C2CC2C(=O)Nc2ccc(C(C)=O)cc2)cc1
InChIInChI=1S/C21H21N3O4/c1-12(25)14-3-5-16(6-4-14)23-20(27)18-11-19(18)21(28)24-17-9-7-15(8-10-17)22-13(2)26/h3-10,18-19H,11H2,1-2H3,(H,22,26)(H,23,27)(H,24,28)
InChIKeyDYTZJQACHYAPDR-UHFFFAOYSA-N
XLogP3.06
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-(4-acetylphenyl)-2-N-cyclopropylcyclopropane-1,2-dicarboxamide
CID 109130958
ethyl 4-[[2-[(4-acetylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 109143804
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-N-(4-acetylphenyl)-2-N-[(4-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109135543
2-N-(4-acetylphenyl)-1-N-(2,4-difluorophenyl)cyclopropane-1,2-dicarboxamide
CID 109143805
N-(4-acetylphenyl)acetamide;fluoromethane
CID 160517938
N-(4-acetylphenyl)-2-phenylcyclopropane-1-carboxamide
CID 4205798
(1S,6R)-6-[(4-acetylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 7028285
1-N-(4-acetylphenyl)-2-N-[2-(4-chlorophenyl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109138655
1-N-(4-acetylphenyl)-2-N-(oxolan-2-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109133579
2-N-(4-acetamidophenyl)-1-N,1-N-diethylcyclopropane-1,2-dicarboxamide
CID 109139358

Frequently Asked Questions

What is the IUPAC name of 1-N-(4-acetamidophenyl)-2-N-(4-acetylphenyl)cyclopropane-1,2-dicarboxamide?
The IUPAC name of 1-N-(4-acetamidophenyl)-2-N-(4-acetylphenyl)cyclopropane-1,2-dicarboxamide (CID 109143793) is 1-N-(4-acetamidophenyl)-2-N-(4-acetylphenyl)cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 1-N-(4-acetamidophenyl)-2-N-(4-acetylphenyl)cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 1-N-(4-acetamidophenyl)-2-N-(4-acetylphenyl)cyclopropane-1,2-dicarboxamide is CC(=O)Nc1ccc(NC(=O)C2CC2C(=O)Nc2ccc(C(C)=O)cc2)cc1.
What is the InChIKey of 1-N-(4-acetamidophenyl)-2-N-(4-acetylphenyl)cyclopropane-1,2-dicarboxamide?
The InChIKey is DYTZJQACHYAPDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4/c1-12(25)14-3-5-16(6-4-14)23-20(27)18-11-19(18)21(28)24-17-9-7-15(8-10-17)22-13(2)26/h3-10,18-19H,11H2,1-2H3,(H,22,26)(H,23,27)(H,24,28).
What are the key properties of 1-N-(4-acetamidophenyl)-2-N-(4-acetylphenyl)cyclopropane-1,2-dicarboxamide?
1-N-(4-acetamidophenyl)-2-N-(4-acetylphenyl)cyclopropane-1,2-dicarboxamide has a molecular weight of 379.42 g/mol, XLogP of 3.06, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-acetamidophenyl)-2-N-(4-acetylphenyl)cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109143793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).