1-N'-benzyl-1-N'-methyl-1-N-(2-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide

C22H26N2O3 — CID 108975586

IUPAC1-N'-benzyl-1-N'-methyl-1-N-(2-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide
SMILESCC(C)Oc1ccccc1NC(=O)C1(C(=O)N(C)Cc2ccccc2)CC1
InChIInChI=1S/C22H26N2O3/c1-16(2)27-19-12-8-7-11-18(19)23-20(25)22(13-14-22)21(26)24(3)15-17-9-5-4-6-10-17/h4-12,16H,13-15H2,1-3H3,(H,23,25)
InChIKeyCRMNULWJWCRLEM-UHFFFAOYSA-N
MW366.46 g/mol
LogP3.85
Rot. Bonds7

About 1-N'-benzyl-1-N'-methyl-1-N-(2-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide

1-N'-benzyl-1-N'-methyl-1-N-(2-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide (PubChem CID 108975586) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is 1-N'-benzyl-1-N'-methyl-1-N-(2-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-benzyl-1-N'-methyl-1-N-(2-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide
PubChem CID108975586
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name1-N'-benzyl-1-N'-methyl-1-N-(2-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide
SMILESCC(C)Oc1ccccc1NC(=O)C1(C(=O)N(C)Cc2ccccc2)CC1
InChIInChI=1S/C22H26N2O3/c1-16(2)27-19-12-8-7-11-18(19)23-20(25)22(13-14-22)21(26)24(3)15-17-9-5-4-6-10-17/h4-12,16H,13-15H2,1-3H3,(H,23,25)
InChIKeyCRMNULWJWCRLEM-UHFFFAOYSA-N
XLogP3.85
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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

methyl 2-[[1-[benzyl(methyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 108975598
1-N'-benzyl-1-N-(2,3-dichlorophenyl)-1-N'-methylcyclopropane-1,1-dicarboxamide
CID 108975622
1-N'-benzyl-1-N-(2,4-dimethylphenyl)-1-N'-methylcyclopropane-1,1-dicarboxamide
CID 108975549
1-N-[4-(dimethylamino)phenyl]-1-N'-(2-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108983242
1-N-(4-acetamidophenyl)-1-N'-(2-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108983238
1-N-(2,4-dimethylphenyl)-1-N'-(2-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108981252
1-N-butyl-1-N'-(2-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108971107
1-N'-benzyl-1-N-(4-chloro-2-methoxy-5-methylphenyl)-1-N'-methylcyclopropane-1,1-dicarboxamide
CID 108975623
1-N-pentyl-1-N'-(2-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108979800
1-N'-benzyl-1-N'-methyl-1-N-(3,4,5-trimethoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108975615
1-N-benzyl-1-N',1-N'-diethyl-1-N-methylcyclopropane-1,1-dicarboxamide
CID 108975527
1-N'-butyl-1-N'-methyl-1-N-(2-phenoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108979955

Frequently Asked Questions

What is the IUPAC name of 1-N'-benzyl-1-N'-methyl-1-N-(2-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N'-benzyl-1-N'-methyl-1-N-(2-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide (CID 108975586) is 1-N'-benzyl-1-N'-methyl-1-N-(2-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-benzyl-1-N'-methyl-1-N-(2-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-benzyl-1-N'-methyl-1-N-(2-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide is CC(C)Oc1ccccc1NC(=O)C1(C(=O)N(C)Cc2ccccc2)CC1.
What is the InChIKey of 1-N'-benzyl-1-N'-methyl-1-N-(2-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide?
The InChIKey is CRMNULWJWCRLEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-16(2)27-19-12-8-7-11-18(19)23-20(25)22(13-14-22)21(26)24(3)15-17-9-5-4-6-10-17/h4-12,16H,13-15H2,1-3H3,(H,23,25).
What are the key properties of 1-N'-benzyl-1-N'-methyl-1-N-(2-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide?
1-N'-benzyl-1-N'-methyl-1-N-(2-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide has a molecular weight of 366.46 g/mol, XLogP of 3.85, 7 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'-methyl-1-N-(2-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108975586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).