1-N'-benzyl-1-N-(4-ethoxyphenyl)-1-N'-ethylcyclopropane-1,1-dicarboxamide

C22H26N2O3 — CID 108976574

IUPAC1-N'-benzyl-1-N-(4-ethoxyphenyl)-1-N'-ethylcyclopropane-1,1-dicarboxamide
SMILESCCOc1ccc(NC(=O)C2(C(=O)N(CC)Cc3ccccc3)CC2)cc1
InChIInChI=1S/C22H26N2O3/c1-3-24(16-17-8-6-5-7-9-17)21(26)22(14-15-22)20(25)23-18-10-12-19(13-11-18)27-4-2/h5-13H,3-4,14-16H2,1-2H3,(H,23,25)
InChIKeyGADNJKXWTJPKOV-UHFFFAOYSA-N
MW366.46 g/mol
LogP3.85
Rot. Bonds8

About 1-N'-benzyl-1-N-(4-ethoxyphenyl)-1-N'-ethylcyclopropane-1,1-dicarboxamide

1-N'-benzyl-1-N-(4-ethoxyphenyl)-1-N'-ethylcyclopropane-1,1-dicarboxamide (PubChem CID 108976574) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is 1-N'-benzyl-1-N-(4-ethoxyphenyl)-1-N'-ethylcyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-benzyl-1-N-(4-ethoxyphenyl)-1-N'-ethylcyclopropane-1,1-dicarboxamide
PubChem CID108976574
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name1-N'-benzyl-1-N-(4-ethoxyphenyl)-1-N'-ethylcyclopropane-1,1-dicarboxamide
SMILESCCOc1ccc(NC(=O)C2(C(=O)N(CC)Cc3ccccc3)CC2)cc1
InChIInChI=1S/C22H26N2O3/c1-3-24(16-17-8-6-5-7-9-17)21(26)22(14-15-22)20(25)23-18-10-12-19(13-11-18)27-4-2/h5-13H,3-4,14-16H2,1-2H3,(H,23,25)
InChIKeyGADNJKXWTJPKOV-UHFFFAOYSA-N
XLogP3.85
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-N-(3-acetamidophenyl)-1-N'-benzyl-1-N'-ethylcyclopropane-1,1-dicarboxamide
CID 108976586
1-N'-benzyl-1-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-N'-ethylcyclopropane-1,1-dicarboxamide
CID 108976596
1-N'-benzyl-1-N-(3-chloro-4-fluorophenyl)-1-N'-ethylcyclopropane-1,1-dicarboxamide
CID 108976566
1-N'-benzyl-1-N'-ethyl-1-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1,1-dicarboxamide
CID 108976615
1-N'-benzyl-1-N-(2,5-dimethylphenyl)-1-N'-ethylcyclopropane-1,1-dicarboxamide
CID 108976541
1-N-(4-ethoxyphenyl)-1-N'-(3-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108980780
1-N-(4-methoxyphenyl)-1-N',1-N'-dipropylcyclopropane-1,1-dicarboxamide
CID 108980280
1-N'-(3,4-difluorophenyl)-1-N-(4-ethoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108983187
N-[(4-ethoxyphenyl)methyl]-N-methyl-4-(phenylcarbamoylamino)benzamide
CID 55370905
1-N-(4-phenylmethoxyphenyl)-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide
CID 108970545
N-benzyl-5-(4-ethoxyanilino)-N-ethylpyridine-2-carboxamide
CID 109190758
N-benzyl-N-ethyl-2-(4-phenylmethoxyanilino)acetamide
CID 108999046

Frequently Asked Questions

What is the IUPAC name of 1-N'-benzyl-1-N-(4-ethoxyphenyl)-1-N'-ethylcyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N'-benzyl-1-N-(4-ethoxyphenyl)-1-N'-ethylcyclopropane-1,1-dicarboxamide (CID 108976574) is 1-N'-benzyl-1-N-(4-ethoxyphenyl)-1-N'-ethylcyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-benzyl-1-N-(4-ethoxyphenyl)-1-N'-ethylcyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-benzyl-1-N-(4-ethoxyphenyl)-1-N'-ethylcyclopropane-1,1-dicarboxamide is CCOc1ccc(NC(=O)C2(C(=O)N(CC)Cc3ccccc3)CC2)cc1.
What is the InChIKey of 1-N'-benzyl-1-N-(4-ethoxyphenyl)-1-N'-ethylcyclopropane-1,1-dicarboxamide?
The InChIKey is GADNJKXWTJPKOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-3-24(16-17-8-6-5-7-9-17)21(26)22(14-15-22)20(25)23-18-10-12-19(13-11-18)27-4-2/h5-13H,3-4,14-16H2,1-2H3,(H,23,25).
What are the key properties of 1-N'-benzyl-1-N-(4-ethoxyphenyl)-1-N'-ethylcyclopropane-1,1-dicarboxamide?
1-N'-benzyl-1-N-(4-ethoxyphenyl)-1-N'-ethylcyclopropane-1,1-dicarboxamide has a molecular weight of 366.46 g/mol, XLogP of 3.85, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-benzyl-1-N-(4-ethoxyphenyl)-1-N'-ethylcyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108976574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).