1-N,1-N'-bis[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide

C21H24N2O2 — CID 108974899

IUPAC1-N,1-N'-bis[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
SMILESCc1ccccc1CNC(=O)C1(C(=O)NCc2ccccc2C)CC1
InChIInChI=1S/C21H24N2O2/c1-15-7-3-5-9-17(15)13-22-19(24)21(11-12-21)20(25)23-14-18-10-6-4-8-16(18)2/h3-10H,11-14H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyMGUWUFPHOOVJIF-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.02
Rot. Bonds6

About 1-N,1-N'-bis[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide

1-N,1-N'-bis[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide (PubChem CID 108974899) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 1-N,1-N'-bis[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N,1-N'-bis[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
PubChem CID108974899
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name1-N,1-N'-bis[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
SMILESCc1ccccc1CNC(=O)C1(C(=O)NCc2ccccc2C)CC1
InChIInChI=1S/C21H24N2O2/c1-15-7-3-5-9-17(15)13-22-19(24)21(11-12-21)20(25)23-14-18-10-6-4-8-16(18)2/h3-10H,11-14H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyMGUWUFPHOOVJIF-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-N-[(2-methylphenyl)methyl]-1-N'-(2,4,6-trimethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108974975
1-N'-(3,5-dimethylphenyl)-1-N-[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108974966
1-N'-(3,4-dimethylphenyl)-1-N-[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108974965
1-N-[(2-methylphenyl)methyl]-1-N'-(1-phenylethyl)cyclopropane-1,1-dicarboxamide
CID 108974902
1-N-[3-(dimethylamino)propyl]-1-N'-[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108973730
1-(4-acetylpiperazine-1-carbonyl)-N-[(2-methylphenyl)methyl]cyclopropane-1-carboxamide
CID 108974414
1-N-[2-(4-chlorophenyl)ethyl]-1-N'-[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108974930
1-N'-(2,4-dimethylphenyl)-1-N-[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108974963
1-N'-(3-methylphenyl)-1-N-[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108974958
1-N'-(2,5-dimethylphenyl)-1-N-[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108974964
1-N-[2-(2-methoxyphenyl)ethyl]-1-N'-[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108974919
1-N-[2-(cyclohexen-1-yl)ethyl]-1-N'-[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108972518

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N'-bis[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N,1-N'-bis[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide (CID 108974899) is 1-N,1-N'-bis[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N,1-N'-bis[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N,1-N'-bis[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide is Cc1ccccc1CNC(=O)C1(C(=O)NCc2ccccc2C)CC1.
What is the InChIKey of 1-N,1-N'-bis[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide?
The InChIKey is MGUWUFPHOOVJIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-15-7-3-5-9-17(15)13-22-19(24)21(11-12-21)20(25)23-14-18-10-6-4-8-16(18)2/h3-10H,11-14H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of 1-N,1-N'-bis[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide?
1-N,1-N'-bis[(2-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[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108974899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).