1-N'-methyl-1-N'-phenyl-1-N-(4-pyrrolidin-1-ylphenyl)cyclopropane-1,1-dicarboxamide

C22H25N3O2 — CID 108981003

IUPAC1-N'-methyl-1-N'-phenyl-1-N-(4-pyrrolidin-1-ylphenyl)cyclopropane-1,1-dicarboxamide
SMILESCN(C(=O)C1(C(=O)Nc2ccc(N3CCCC3)cc2)CC1)c1ccccc1
InChIInChI=1S/C22H25N3O2/c1-24(18-7-3-2-4-8-18)21(27)22(13-14-22)20(26)23-17-9-11-19(12-10-17)25-15-5-6-16-25/h2-4,7-12H,5-6,13-16H2,1H3,(H,23,26)
InChIKeyQEEVAOXEKXJNDG-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.67
Rot. Bonds5

About 1-N'-methyl-1-N'-phenyl-1-N-(4-pyrrolidin-1-ylphenyl)cyclopropane-1,1-dicarboxamide

1-N'-methyl-1-N'-phenyl-1-N-(4-pyrrolidin-1-ylphenyl)cyclopropane-1,1-dicarboxamide (PubChem CID 108981003) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 1-N'-methyl-1-N'-phenyl-1-N-(4-pyrrolidin-1-ylphenyl)cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-methyl-1-N'-phenyl-1-N-(4-pyrrolidin-1-ylphenyl)cyclopropane-1,1-dicarboxamide
PubChem CID108981003
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name1-N'-methyl-1-N'-phenyl-1-N-(4-pyrrolidin-1-ylphenyl)cyclopropane-1,1-dicarboxamide
SMILESCN(C(=O)C1(C(=O)Nc2ccc(N3CCCC3)cc2)CC1)c1ccccc1
InChIInChI=1S/C22H25N3O2/c1-24(18-7-3-2-4-8-18)21(27)22(13-14-22)20(26)23-17-9-11-19(12-10-17)25-15-5-6-16-25/h2-4,7-12H,5-6,13-16H2,1H3,(H,23,26)
InChIKeyQEEVAOXEKXJNDG-UHFFFAOYSA-N
XLogP3.67
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-N'-methyl-1-N-(4-phenoxyphenyl)-1-N'-phenylcyclopropane-1,1-dicarboxamide
CID 108981009
1-[(4-piperidin-1-ylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 63180680
N'-methyl-N'-phenyl-N-(4-piperidin-1-ylphenyl)oxamide
CID 108520940
N'-methyl-N'-phenyl-N-(4-piperidin-1-ylphenyl)propanediamide
CID 108953212
1-N'-(3,5-dimethylphenyl)-1-N-(4-pyrrolidin-1-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981505
1-N'-methyl-1-N'-(2-pyridin-4-ylethyl)-1-N-(4-pyrrolidin-1-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108977897
1-N'-(3,5-dimethylphenyl)-1-N-(4-piperidin-1-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981506
1-N-[3-(dimethylamino)propyl]-1-N'-(4-piperidin-1-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108973858
1-N-(2-methylpropyl)-1-N'-(4-pyrrolidin-1-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108971320
N-methyl-N-phenyl-1-(piperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 108972027
1-N'-(2,5-dimethylphenyl)-1-N-(4-pyrrolidin-1-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981349
1-N-(2-ethylphenyl)-1-N'-methyl-1-N'-phenylcyclopropane-1,1-dicarboxamide
CID 108980952

Frequently Asked Questions

What is the IUPAC name of 1-N'-methyl-1-N'-phenyl-1-N-(4-pyrrolidin-1-ylphenyl)cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N'-methyl-1-N'-phenyl-1-N-(4-pyrrolidin-1-ylphenyl)cyclopropane-1,1-dicarboxamide (CID 108981003) is 1-N'-methyl-1-N'-phenyl-1-N-(4-pyrrolidin-1-ylphenyl)cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-methyl-1-N'-phenyl-1-N-(4-pyrrolidin-1-ylphenyl)cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-methyl-1-N'-phenyl-1-N-(4-pyrrolidin-1-ylphenyl)cyclopropane-1,1-dicarboxamide is CN(C(=O)C1(C(=O)Nc2ccc(N3CCCC3)cc2)CC1)c1ccccc1.
What is the InChIKey of 1-N'-methyl-1-N'-phenyl-1-N-(4-pyrrolidin-1-ylphenyl)cyclopropane-1,1-dicarboxamide?
The InChIKey is QEEVAOXEKXJNDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-24(18-7-3-2-4-8-18)21(27)22(13-14-22)20(26)23-17-9-11-19(12-10-17)25-15-5-6-16-25/h2-4,7-12H,5-6,13-16H2,1H3,(H,23,26).
What are the key properties of 1-N'-methyl-1-N'-phenyl-1-N-(4-pyrrolidin-1-ylphenyl)cyclopropane-1,1-dicarboxamide?
1-N'-methyl-1-N'-phenyl-1-N-(4-pyrrolidin-1-ylphenyl)cyclopropane-1,1-dicarboxamide has a molecular weight of 363.46 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-methyl-1-N'-phenyl-1-N-(4-pyrrolidin-1-ylphenyl)cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108981003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).