1-N'-butyl-1-N'-methyl-1-N-(2-phenoxyphenyl)cyclopropane-1,1-dicarboxamide

C22H26N2O3 — CID 108979955

IUPAC1-N'-butyl-1-N'-methyl-1-N-(2-phenoxyphenyl)cyclopropane-1,1-dicarboxamide
SMILESCCCCN(C)C(=O)C1(C(=O)Nc2ccccc2Oc2ccccc2)CC1
InChIInChI=1S/C22H26N2O3/c1-3-4-16-24(2)21(26)22(14-15-22)20(25)23-18-12-8-9-13-19(18)27-17-10-6-5-7-11-17/h5-13H,3-4,14-16H2,1-2H3,(H,23,25)
InChIKeyXZEXRBJBNZWWTQ-UHFFFAOYSA-N
MW366.46 g/mol
LogP4.46
Rot. Bonds8

About 1-N'-butyl-1-N'-methyl-1-N-(2-phenoxyphenyl)cyclopropane-1,1-dicarboxamide

1-N'-butyl-1-N'-methyl-1-N-(2-phenoxyphenyl)cyclopropane-1,1-dicarboxamide (PubChem CID 108979955) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is 1-N'-butyl-1-N'-methyl-1-N-(2-phenoxyphenyl)cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-butyl-1-N'-methyl-1-N-(2-phenoxyphenyl)cyclopropane-1,1-dicarboxamide
PubChem CID108979955
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name1-N'-butyl-1-N'-methyl-1-N-(2-phenoxyphenyl)cyclopropane-1,1-dicarboxamide
SMILESCCCCN(C)C(=O)C1(C(=O)Nc2ccccc2Oc2ccccc2)CC1
InChIInChI=1S/C22H26N2O3/c1-3-4-16-24(2)21(26)22(14-15-22)20(25)23-18-12-8-9-13-19(18)27-17-10-6-5-7-11-17/h5-13H,3-4,14-16H2,1-2H3,(H,23,25)
InChIKeyXZEXRBJBNZWWTQ-UHFFFAOYSA-N
XLogP4.46
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 ≤ 54.46
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'-butyl-1-N-(3-methoxyphenyl)-1-N'-methylcyclopropane-1,1-dicarboxamide
CID 108979910
1-N-butyl-1-N-methyl-2-N-(2-phenoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109140214
1-N'-butyl-1-N-(2,6-difluorophenyl)-1-N'-methylcyclopropane-1,1-dicarboxamide
CID 108979974
2-[butyl(methylsulfonyl)amino]-N-(2-phenoxyphenyl)acetamide
CID 113148410
1-N'-benzyl-1-N'-methyl-1-N-(2-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108975586
3-[butyl(methylsulfonyl)amino]-N-(2-phenoxyphenyl)propanamide
CID 113136792
1-butyl-3-(2-phenoxyphenyl)urea
CID 604054
N-(2-phenoxyphenyl)decanamide
CID 4091110
1-butyl-1-methyl-3-(2-propan-2-yloxyphenyl)urea
CID 108990816
1-N'-(2-methoxyphenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide
CID 108979794
1-N'-butyl-1-N'-methyl-1-N-propylcyclopropane-1,1-dicarboxamide
CID 108970270
2-(pentylamino)-N-(2-phenoxyphenyl)acetamide
CID 109006006

Frequently Asked Questions

What is the IUPAC name of 1-N'-butyl-1-N'-methyl-1-N-(2-phenoxyphenyl)cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N'-butyl-1-N'-methyl-1-N-(2-phenoxyphenyl)cyclopropane-1,1-dicarboxamide (CID 108979955) is 1-N'-butyl-1-N'-methyl-1-N-(2-phenoxyphenyl)cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-butyl-1-N'-methyl-1-N-(2-phenoxyphenyl)cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-butyl-1-N'-methyl-1-N-(2-phenoxyphenyl)cyclopropane-1,1-dicarboxamide is CCCCN(C)C(=O)C1(C(=O)Nc2ccccc2Oc2ccccc2)CC1.
What is the InChIKey of 1-N'-butyl-1-N'-methyl-1-N-(2-phenoxyphenyl)cyclopropane-1,1-dicarboxamide?
The InChIKey is XZEXRBJBNZWWTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-3-4-16-24(2)21(26)22(14-15-22)20(25)23-18-12-8-9-13-19(18)27-17-10-6-5-7-11-17/h5-13H,3-4,14-16H2,1-2H3,(H,23,25).
What are the key properties of 1-N'-butyl-1-N'-methyl-1-N-(2-phenoxyphenyl)cyclopropane-1,1-dicarboxamide?
1-N'-butyl-1-N'-methyl-1-N-(2-phenoxyphenyl)cyclopropane-1,1-dicarboxamide has a molecular weight of 366.46 g/mol, XLogP of 4.46, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-butyl-1-N'-methyl-1-N-(2-phenoxyphenyl)cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108979955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).