1-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-[(3-methylphenyl)methyl]cyclopropane-1-carboxamide

C22H24N2O2 — CID 108975178

IUPAC1-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-[(3-methylphenyl)methyl]cyclopropane-1-carboxamide
SMILESCc1cccc(CNC(=O)C2(C(=O)N3c4ccccc4CC3C)CC2)c1
InChIInChI=1S/C22H24N2O2/c1-15-6-5-7-17(12-15)14-23-20(25)22(10-11-22)21(26)24-16(2)13-18-8-3-4-9-19(18)24/h3-9,12,16H,10-11,13-14H2,1-2H3,(H,23,25)
InChIKeyGLRLIMZPQZQDCH-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.37
Rot. Bonds4

About 1-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-[(3-methylphenyl)methyl]cyclopropane-1-carboxamide

1-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-[(3-methylphenyl)methyl]cyclopropane-1-carboxamide (PubChem CID 108975178) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 1-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-[(3-methylphenyl)methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-[(3-methylphenyl)methyl]cyclopropane-1-carboxamide
PubChem CID108975178
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Name1-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-[(3-methylphenyl)methyl]cyclopropane-1-carboxamide
SMILESCc1cccc(CNC(=O)C2(C(=O)N3c4ccccc4CC3C)CC2)c1
InChIInChI=1S/C22H24N2O2/c1-15-6-5-7-17(12-15)14-23-20(25)22(10-11-22)21(26)24-16(2)13-18-8-3-4-9-19(18)24/h3-9,12,16H,10-11,13-14H2,1-2H3,(H,23,25)
InChIKeyGLRLIMZPQZQDCH-UHFFFAOYSA-N
XLogP3.37
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-chlorophenyl)ethyl]-1-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxamide
CID 108980393
1-N,1-N'-bis[(3-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108975048
1-[(3-methylphenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 62096961
1-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxylic acid
CID 55034928
4-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide
CID 109085832
N-[(3-methylphenyl)methyl]-1-(morpholine-4-carbonyl)cyclopropane-1-carboxamide
CID 108973043
(2-methyl-2,3-dihydroindol-1-yl)-[5-[(3-methylphenyl)methylamino]pyrazin-2-yl]methanone
CID 109280473
N-[(3-chlorophenyl)methyl]-2-methyl-2,3-dihydroindole-1-carboxamide
CID 110301242
N-[(3-bromophenyl)methyl]-2-methyl-2,3-dihydroindole-1-carboxamide
CID 60605582
N-cycloheptyl-1-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxamide
CID 108979533
N-(4-bromophenyl)-1-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxamide
CID 108982936
N-(4-fluorophenyl)-1-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxamide
CID 108982421

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-[(3-methylphenyl)methyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-[(3-methylphenyl)methyl]cyclopropane-1-carboxamide (CID 108975178) is 1-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-[(3-methylphenyl)methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-[(3-methylphenyl)methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-[(3-methylphenyl)methyl]cyclopropane-1-carboxamide is Cc1cccc(CNC(=O)C2(C(=O)N3c4ccccc4CC3C)CC2)c1.
What is the InChIKey of 1-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-[(3-methylphenyl)methyl]cyclopropane-1-carboxamide?
The InChIKey is GLRLIMZPQZQDCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-15-6-5-7-17(12-15)14-23-20(25)22(10-11-22)21(26)24-16(2)13-18-8-3-4-9-19(18)24/h3-9,12,16H,10-11,13-14H2,1-2H3,(H,23,25).
What are the key properties of 1-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-[(3-methylphenyl)methyl]cyclopropane-1-carboxamide?
1-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-[(3-methylphenyl)methyl]cyclopropane-1-carboxamide has a molecular weight of 348.45 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-[(3-methylphenyl)methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 108975178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).