1-N-[(3-methylphenyl)methyl]-1-N'-(4-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide

C22H26N2O2 — CID 108975122

IUPAC1-N-[(3-methylphenyl)methyl]-1-N'-(4-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide
SMILESCc1cccc(CNC(=O)C2(C(=O)Nc3ccc(C(C)C)cc3)CC2)c1
InChIInChI=1S/C22H26N2O2/c1-15(2)18-7-9-19(10-8-18)24-21(26)22(11-12-22)20(25)23-14-17-6-4-5-16(3)13-17/h4-10,13,15H,11-12,14H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyPOSSCYWDTNLWRO-UHFFFAOYSA-N
MW350.46 g/mol
LogP4.15
Rot. Bonds6

About 1-N-[(3-methylphenyl)methyl]-1-N'-(4-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide

1-N-[(3-methylphenyl)methyl]-1-N'-(4-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide (PubChem CID 108975122) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is 1-N-[(3-methylphenyl)methyl]-1-N'-(4-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N-[(3-methylphenyl)methyl]-1-N'-(4-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide
PubChem CID108975122
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name1-N-[(3-methylphenyl)methyl]-1-N'-(4-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide
SMILESCc1cccc(CNC(=O)C2(C(=O)Nc3ccc(C(C)C)cc3)CC2)c1
InChIInChI=1S/C22H26N2O2/c1-15(2)18-7-9-19(10-8-18)24-21(26)22(11-12-22)20(25)23-14-17-6-4-5-16(3)13-17/h4-10,13,15H,11-12,14H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyPOSSCYWDTNLWRO-UHFFFAOYSA-N
XLogP4.15
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 54.15
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,1-N'-bis[(3-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108975048
1-N-[(3-methylphenyl)methyl]-1-N'-(2-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108975121
1-N-[(3-methylphenyl)methyl]-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide
CID 108970412
1-N'-(3-chloro-4-methoxyphenyl)-1-N-[(3-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108975139
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-[(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'-(2,4-dimethylphenyl)-1-N-(4-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981229
1-N-(1,3-benzodioxol-5-ylmethyl)-1-N'-(3-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108976431
N-[(3-methylphenyl)methyl]-3-(4-propan-2-ylanilino)propanamide
CID 109019488

Frequently Asked Questions

What is the IUPAC name of 1-N-[(3-methylphenyl)methyl]-1-N'-(4-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N-[(3-methylphenyl)methyl]-1-N'-(4-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide (CID 108975122) is 1-N-[(3-methylphenyl)methyl]-1-N'-(4-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N-[(3-methylphenyl)methyl]-1-N'-(4-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N-[(3-methylphenyl)methyl]-1-N'-(4-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide is Cc1cccc(CNC(=O)C2(C(=O)Nc3ccc(C(C)C)cc3)CC2)c1.
What is the InChIKey of 1-N-[(3-methylphenyl)methyl]-1-N'-(4-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide?
The InChIKey is POSSCYWDTNLWRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-15(2)18-7-9-19(10-8-18)24-21(26)22(11-12-22)20(25)23-14-17-6-4-5-16(3)13-17/h4-10,13,15H,11-12,14H2,1-3H3,(H,23,25)(H,24,26).
What are the key properties of 1-N-[(3-methylphenyl)methyl]-1-N'-(4-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide?
1-N-[(3-methylphenyl)methyl]-1-N'-(4-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide has a molecular weight of 350.46 g/mol, XLogP of 4.15, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(3-methylphenyl)methyl]-1-N'-(4-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108975122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).