1-N'-(2,5-dimethylphenyl)-1-N-(4-pyrrolidin-1-ylphenyl)cyclopropane-1,1-dicarboxamide

C23H27N3O2 — CID 108981349

IUPAC1-N'-(2,5-dimethylphenyl)-1-N-(4-pyrrolidin-1-ylphenyl)cyclopropane-1,1-dicarboxamide
SMILESCc1ccc(C)c(NC(=O)C2(C(=O)Nc3ccc(N4CCCC4)cc3)CC2)c1
InChIInChI=1S/C23H27N3O2/c1-16-5-6-17(2)20(15-16)25-22(28)23(11-12-23)21(27)24-18-7-9-19(10-8-18)26-13-3-4-14-26/h5-10,15H,3-4,11-14H2,1-2H3,(H,24,27)(H,25,28)
InChIKeySAZSYLNNOROVFQ-UHFFFAOYSA-N
MW377.49 g/mol
LogP4.26
Rot. Bonds5

About 1-N'-(2,5-dimethylphenyl)-1-N-(4-pyrrolidin-1-ylphenyl)cyclopropane-1,1-dicarboxamide

1-N'-(2,5-dimethylphenyl)-1-N-(4-pyrrolidin-1-ylphenyl)cyclopropane-1,1-dicarboxamide (PubChem CID 108981349) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 1-N'-(2,5-dimethylphenyl)-1-N-(4-pyrrolidin-1-ylphenyl)cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-(2,5-dimethylphenyl)-1-N-(4-pyrrolidin-1-ylphenyl)cyclopropane-1,1-dicarboxamide
PubChem CID108981349
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name1-N'-(2,5-dimethylphenyl)-1-N-(4-pyrrolidin-1-ylphenyl)cyclopropane-1,1-dicarboxamide
SMILESCc1ccc(C)c(NC(=O)C2(C(=O)Nc3ccc(N4CCCC4)cc3)CC2)c1
InChIInChI=1S/C23H27N3O2/c1-16-5-6-17(2)20(15-16)25-22(28)23(11-12-23)21(27)24-18-7-9-19(10-8-18)26-13-3-4-14-26/h5-10,15H,3-4,11-14H2,1-2H3,(H,24,27)(H,25,28)
InChIKeySAZSYLNNOROVFQ-UHFFFAOYSA-N
XLogP4.26
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.26
H-Bond Donors ≤ 52
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'-(2-methoxy-5-methylphenyl)-1-N-(4-pyrrolidin-1-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108983207
1-N'-(3,5-dimethylphenyl)-1-N-(4-pyrrolidin-1-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981505
1-N'-(3,5-dimethylphenyl)-1-N-(4-piperidin-1-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981506
1-N-(4-bromophenyl)-1-N'-(2,5-dimethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981325
N-(2,5-dimethylphenyl)-1-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
CID 108971649
1-N'-(2,5-dimethylphenyl)-1-N-[4-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarboxamide
CID 108981339
N-(2,5-dimethylphenyl)-1-[4-(4-fluorophenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide
CID 108978231
N-(2,5-dimethylphenyl)-4-piperidin-1-ylbenzamide
CID 53282282
1-[(4-piperidin-1-ylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 63180680
1-N-(2-methylpropyl)-1-N'-(4-pyrrolidin-1-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108971320
1-N-prop-2-enyl-1-N'-(4-pyrrolidin-1-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108970930
1-N-(3-methoxypropyl)-1-N'-(4-piperidin-1-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108972989

Frequently Asked Questions

What is the IUPAC name of 1-N'-(2,5-dimethylphenyl)-1-N-(4-pyrrolidin-1-ylphenyl)cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N'-(2,5-dimethylphenyl)-1-N-(4-pyrrolidin-1-ylphenyl)cyclopropane-1,1-dicarboxamide (CID 108981349) is 1-N'-(2,5-dimethylphenyl)-1-N-(4-pyrrolidin-1-ylphenyl)cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-(2,5-dimethylphenyl)-1-N-(4-pyrrolidin-1-ylphenyl)cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-(2,5-dimethylphenyl)-1-N-(4-pyrrolidin-1-ylphenyl)cyclopropane-1,1-dicarboxamide is Cc1ccc(C)c(NC(=O)C2(C(=O)Nc3ccc(N4CCCC4)cc3)CC2)c1.
What is the InChIKey of 1-N'-(2,5-dimethylphenyl)-1-N-(4-pyrrolidin-1-ylphenyl)cyclopropane-1,1-dicarboxamide?
The InChIKey is SAZSYLNNOROVFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-16-5-6-17(2)20(15-16)25-22(28)23(11-12-23)21(27)24-18-7-9-19(10-8-18)26-13-3-4-14-26/h5-10,15H,3-4,11-14H2,1-2H3,(H,24,27)(H,25,28).
What are the key properties of 1-N'-(2,5-dimethylphenyl)-1-N-(4-pyrrolidin-1-ylphenyl)cyclopropane-1,1-dicarboxamide?
1-N'-(2,5-dimethylphenyl)-1-N-(4-pyrrolidin-1-ylphenyl)cyclopropane-1,1-dicarboxamide has a molecular weight of 377.49 g/mol, XLogP of 4.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-(2,5-dimethylphenyl)-1-N-(4-pyrrolidin-1-ylphenyl)cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108981349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).