1-N-cyclopropyl-1-N'-(4-phenoxyphenyl)cyclopropane-1,1-dicarboxamide

C20H20N2O3 — CID 108970739

IUPAC1-N-cyclopropyl-1-N'-(4-phenoxyphenyl)cyclopropane-1,1-dicarboxamide
SMILESO=C(Nc1ccc(Oc2ccccc2)cc1)C1(C(=O)NC2CC2)CC1
InChIInChI=1S/C20H20N2O3/c23-18(21-14-6-7-14)20(12-13-20)19(24)22-15-8-10-17(11-9-15)25-16-4-2-1-3-5-16/h1-5,8-11,14H,6-7,12-13H2,(H,21,23)(H,22,24)
InChIKeyIUJQJUWTUSEZNB-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.48
Rot. Bonds6

About 1-N-cyclopropyl-1-N'-(4-phenoxyphenyl)cyclopropane-1,1-dicarboxamide

1-N-cyclopropyl-1-N'-(4-phenoxyphenyl)cyclopropane-1,1-dicarboxamide (PubChem CID 108970739) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is 1-N-cyclopropyl-1-N'-(4-phenoxyphenyl)cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N-cyclopropyl-1-N'-(4-phenoxyphenyl)cyclopropane-1,1-dicarboxamide
PubChem CID108970739
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name1-N-cyclopropyl-1-N'-(4-phenoxyphenyl)cyclopropane-1,1-dicarboxamide
SMILESO=C(Nc1ccc(Oc2ccccc2)cc1)C1(C(=O)NC2CC2)CC1
InChIInChI=1S/C20H20N2O3/c23-18(21-14-6-7-14)20(12-13-20)19(24)22-15-8-10-17(11-9-15)25-16-4-2-1-3-5-16/h1-5,8-11,14H,6-7,12-13H2,(H,21,23)(H,22,24)
InChIKeyIUJQJUWTUSEZNB-UHFFFAOYSA-N
XLogP3.48
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.48
H-Bond Donors ≤ 52
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'-(4-phenoxyphenyl)-1-N-propylcyclopropane-1,1-dicarboxamide
CID 108970349
1-cyclobutyl-3-(4-phenoxyphenyl)urea
CID 23959001
1-N-cyclohexyl-1-N'-(4-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108972257
1-N'-methyl-1-N-(4-phenoxyphenyl)-1-N'-phenylcyclopropane-1,1-dicarboxamide
CID 108981009
1-N'-(4-acetamidophenyl)-1-N-cyclohexylcyclopropane-1,1-dicarboxamide
CID 108972267
1-N-cyclopropyl-1-N'-(2-methoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108970708
1-(1-acetylpiperidin-4-yl)-3-(4-phenoxyphenyl)urea
CID 25070785
3-methyl-N-(4-phenoxyphenyl)oxetane-3-carboxamide
CID 146022356
1-N'-cyclopropyl-1-N-(2-phenylethyl)cyclopropane-1,1-dicarboxamide
CID 108970621
1-(2,3-dihydro-1H-inden-2-yl)-3-(4-phenoxyphenyl)urea
CID 23734545
1-N-cyclopentyl-1-N'-(3,4-dimethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108971842
1-cyclopropyl-3-[6-(4-phenoxyanilino)pyridazin-3-yl]urea
CID 113049902

Frequently Asked Questions

What is the IUPAC name of 1-N-cyclopropyl-1-N'-(4-phenoxyphenyl)cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N-cyclopropyl-1-N'-(4-phenoxyphenyl)cyclopropane-1,1-dicarboxamide (CID 108970739) is 1-N-cyclopropyl-1-N'-(4-phenoxyphenyl)cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N-cyclopropyl-1-N'-(4-phenoxyphenyl)cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N-cyclopropyl-1-N'-(4-phenoxyphenyl)cyclopropane-1,1-dicarboxamide is O=C(Nc1ccc(Oc2ccccc2)cc1)C1(C(=O)NC2CC2)CC1.
What is the InChIKey of 1-N-cyclopropyl-1-N'-(4-phenoxyphenyl)cyclopropane-1,1-dicarboxamide?
The InChIKey is IUJQJUWTUSEZNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c23-18(21-14-6-7-14)20(12-13-20)19(24)22-15-8-10-17(11-9-15)25-16-4-2-1-3-5-16/h1-5,8-11,14H,6-7,12-13H2,(H,21,23)(H,22,24).
What are the key properties of 1-N-cyclopropyl-1-N'-(4-phenoxyphenyl)cyclopropane-1,1-dicarboxamide?
1-N-cyclopropyl-1-N'-(4-phenoxyphenyl)cyclopropane-1,1-dicarboxamide has a molecular weight of 336.39 g/mol, XLogP of 3.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclopropyl-1-N'-(4-phenoxyphenyl)cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108970739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).