2-N-(3-acetamidophenyl)-1-N-(2-ethylphenyl)cyclopropane-1,2-dicarboxamide

C21H23N3O3 — CID 109142024

IUPAC2-N-(3-acetamidophenyl)-1-N-(2-ethylphenyl)cyclopropane-1,2-dicarboxamide
SMILESCCc1ccccc1NC(=O)C1CC1C(=O)Nc1cccc(NC(C)=O)c1
InChIInChI=1S/C21H23N3O3/c1-3-14-7-4-5-10-19(14)24-21(27)18-12-17(18)20(26)23-16-9-6-8-15(11-16)22-13(2)25/h4-11,17-18H,3,12H2,1-2H3,(H,22,25)(H,23,26)(H,24,27)
InChIKeyFDLFEOGBUZSTKS-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.42
Rot. Bonds6

About 2-N-(3-acetamidophenyl)-1-N-(2-ethylphenyl)cyclopropane-1,2-dicarboxamide

2-N-(3-acetamidophenyl)-1-N-(2-ethylphenyl)cyclopropane-1,2-dicarboxamide (PubChem CID 109142024) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 2-N-(3-acetamidophenyl)-1-N-(2-ethylphenyl)cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-(3-acetamidophenyl)-1-N-(2-ethylphenyl)cyclopropane-1,2-dicarboxamide
PubChem CID109142024
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name2-N-(3-acetamidophenyl)-1-N-(2-ethylphenyl)cyclopropane-1,2-dicarboxamide
SMILESCCc1ccccc1NC(=O)C1CC1C(=O)Nc1cccc(NC(C)=O)c1
InChIInChI=1S/C21H23N3O3/c1-3-14-7-4-5-10-19(14)24-21(27)18-12-17(18)20(26)23-16-9-6-8-15(11-16)22-13(2)25/h4-11,17-18H,3,12H2,1-2H3,(H,22,25)(H,23,26)(H,24,27)
InChIKeyFDLFEOGBUZSTKS-UHFFFAOYSA-N
XLogP3.42
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[(2-ethylphenyl)carbamothioylamino]phenyl]acetamide
CID 19678469
1-N-(2-ethylphenyl)-2-N-(4-methoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109142010
2-N-(3-acetylphenyl)-1-N-(2,6-diethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109142489
2-(4-acetylpiperazine-1-carbonyl)-N-(2-ethylphenyl)cyclopropane-1-carboxamide
CID 109134716
1-N-(2-tert-butylphenyl)-2-N-(2-ethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141992
2-N-cyclopentyl-1-N-(2-ethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109132081
2-N-benzyl-1-N-(2-ethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109135043
2-N-(2-ethylphenyl)-1-N,1-N-dipropylcyclopropane-1,2-dicarboxamide
CID 109140512
2-N-(3-acetamidophenyl)-1-N-(2,4,6-trimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109142442
1-N-(2-ethylphenyl)-2-N-(2-methoxyethyl)cyclopropane-1,2-dicarboxamide
CID 109132991
2-N-[2-(dimethylamino)ethyl]-1-N-(2-ethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109133719
2-(azepane-1-carbonyl)-N-(2-ethylphenyl)cyclopropane-1-carboxamide
CID 109140690

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-acetamidophenyl)-1-N-(2-ethylphenyl)cyclopropane-1,2-dicarboxamide?
The IUPAC name of 2-N-(3-acetamidophenyl)-1-N-(2-ethylphenyl)cyclopropane-1,2-dicarboxamide (CID 109142024) is 2-N-(3-acetamidophenyl)-1-N-(2-ethylphenyl)cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 2-N-(3-acetamidophenyl)-1-N-(2-ethylphenyl)cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 2-N-(3-acetamidophenyl)-1-N-(2-ethylphenyl)cyclopropane-1,2-dicarboxamide is CCc1ccccc1NC(=O)C1CC1C(=O)Nc1cccc(NC(C)=O)c1.
What is the InChIKey of 2-N-(3-acetamidophenyl)-1-N-(2-ethylphenyl)cyclopropane-1,2-dicarboxamide?
The InChIKey is FDLFEOGBUZSTKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-3-14-7-4-5-10-19(14)24-21(27)18-12-17(18)20(26)23-16-9-6-8-15(11-16)22-13(2)25/h4-11,17-18H,3,12H2,1-2H3,(H,22,25)(H,23,26)(H,24,27).
What are the key properties of 2-N-(3-acetamidophenyl)-1-N-(2-ethylphenyl)cyclopropane-1,2-dicarboxamide?
2-N-(3-acetamidophenyl)-1-N-(2-ethylphenyl)cyclopropane-1,2-dicarboxamide has a molecular weight of 365.43 g/mol, XLogP of 3.42, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-acetamidophenyl)-1-N-(2-ethylphenyl)cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109142024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).