1-N,1-N'-bis[(3-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide

C21H24N2O2 — CID 108975048

IUPAC1-N,1-N'-bis[(3-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
SMILESCc1cccc(CNC(=O)C2(C(=O)NCc3cccc(C)c3)CC2)c1
InChIInChI=1S/C21H24N2O2/c1-15-5-3-7-17(11-15)13-22-19(24)21(9-10-21)20(25)23-14-18-8-4-6-16(2)12-18/h3-8,11-12H,9-10,13-14H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyKYIVLOIRJPAGDZ-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.02
Rot. Bonds6

About 1-N,1-N'-bis[(3-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide

1-N,1-N'-bis[(3-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide (PubChem CID 108975048) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 1-N,1-N'-bis[(3-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N,1-N'-bis[(3-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
PubChem CID108975048
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name1-N,1-N'-bis[(3-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
SMILESCc1cccc(CNC(=O)C2(C(=O)NCc3cccc(C)c3)CC2)c1
InChIInChI=1S/C21H24N2O2/c1-15-5-3-7-17(11-15)13-22-19(24)21(9-10-21)20(25)23-14-18-8-4-6-16(2)12-18/h3-8,11-12H,9-10,13-14H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyKYIVLOIRJPAGDZ-UHFFFAOYSA-N
XLogP3.02
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(3-methylphenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 62096961
1-N-[(4-fluorophenyl)methyl]-1-N'-[(3-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108975053
1-N'-tert-butyl-1-N-[(3-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108975092
1-N-[(3-methylphenyl)methyl]-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide
CID 108970412
1-N'-(2,6-difluorophenyl)-1-N-[(3-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108975193
1-N'-butan-2-yl-1-N-[(3-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108971384
1-N-[3-(dimethylamino)propyl]-1-N'-[(3-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108973731
1-N-[(3-methylphenyl)methyl]-1-N'-(4-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108975122
1-hydroxy-N-[(3-methylphenyl)methyl]cyclopentane-1-carboxamide
CID 110907173
N-[(3-methylphenyl)methyl]-1-(morpholine-4-carbonyl)cyclopropane-1-carboxamide
CID 108973043
1-N-[(3-methylphenyl)methyl]-1-N'-(2-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108975121
1-N'-(3-chloro-4-methoxyphenyl)-1-N-[(3-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108975139

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N'-bis[(3-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N,1-N'-bis[(3-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide (CID 108975048) is 1-N,1-N'-bis[(3-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N,1-N'-bis[(3-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N,1-N'-bis[(3-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide is Cc1cccc(CNC(=O)C2(C(=O)NCc3cccc(C)c3)CC2)c1.
What is the InChIKey of 1-N,1-N'-bis[(3-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide?
The InChIKey is KYIVLOIRJPAGDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-15-5-3-7-17(11-15)13-22-19(24)21(9-10-21)20(25)23-14-18-8-4-6-16(2)12-18/h3-8,11-12H,9-10,13-14H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of 1-N,1-N'-bis[(3-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide?
1-N,1-N'-bis[(3-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide has a molecular weight of 336.44 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N'-bis[(3-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108975048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).