1-N-(4-methylphenyl)-4-N-(2-methylpropyl)-2,3-dihydroindole-1,4-dicarboxamide

C21H25N3O2 — CID 53160081

IUPAC1-N-(4-methylphenyl)-4-N-(2-methylpropyl)-2,3-dihydroindole-1,4-dicarboxamide
SMILESCc1ccc(NC(=O)N2CCc3c(C(=O)NCC(C)C)cccc32)cc1
InChIInChI=1S/C21H25N3O2/c1-14(2)13-22-20(25)18-5-4-6-19-17(18)11-12-24(19)21(26)23-16-9-7-15(3)8-10-16/h4-10,14H,11-13H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyYLHHNDVEGSGHML-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.98
Rot. Bonds4

About 1-N-(4-methylphenyl)-4-N-(2-methylpropyl)-2,3-dihydroindole-1,4-dicarboxamide

1-N-(4-methylphenyl)-4-N-(2-methylpropyl)-2,3-dihydroindole-1,4-dicarboxamide (PubChem CID 53160081) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 1-N-(4-methylphenyl)-4-N-(2-methylpropyl)-2,3-dihydroindole-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-(4-methylphenyl)-4-N-(2-methylpropyl)-2,3-dihydroindole-1,4-dicarboxamide
PubChem CID53160081
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name1-N-(4-methylphenyl)-4-N-(2-methylpropyl)-2,3-dihydroindole-1,4-dicarboxamide
SMILESCc1ccc(NC(=O)N2CCc3c(C(=O)NCC(C)C)cccc32)cc1
InChIInChI=1S/C21H25N3O2/c1-14(2)13-22-20(25)18-5-4-6-19-17(18)11-12-24(19)21(26)23-16-9-7-15(3)8-10-16/h4-10,14H,11-13H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyYLHHNDVEGSGHML-UHFFFAOYSA-N
XLogP3.98
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-[(2S)-butan-2-yl]-1-N-(4-methylphenyl)-2,3-dihydroindole-1,4-dicarboxamide
CID 95100010
1-N-(4-methylphenyl)-4-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2,3-dihydroindole-1,4-dicarboxamide
CID 53160076
4-N-ethyl-1-N-(4-fluorophenyl)-2,3-dihydroindole-1,4-dicarboxamide
CID 53160167
4-N-[(2S)-butan-2-yl]-1-N-(4-fluorophenyl)-2,3-dihydroindole-1,4-dicarboxamide
CID 95100016
4-N-butyl-1-N-phenyl-2,3-dihydroindole-1,4-dicarboxamide
CID 53160123
4-N-tert-butyl-1-N-(4-fluorophenyl)-2,3-dihydroindole-1,4-dicarboxamide
CID 53160112
1-N-phenyl-4-N-(2-thiophen-2-ylethyl)-2,3-dihydroindole-1,4-dicarboxamide
CID 53160126
1-N-(4-methoxyphenyl)-4-N-(1-pyridin-2-ylethyl)-2,3-dihydroindole-1,4-dicarboxamide
CID 53200908
N-ethyl-1-propanoyl-2,3-dihydroindole-4-carboxamide
CID 53159918
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-(2-methylpropyl)benzamide
CID 31934655
N-[4-[2-(4-methylphenyl)ethylcarbamoyl]phenyl]-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 46338580
1-propanoyl-N-[(4-propan-2-yloxyphenyl)methyl]-2,3-dihydroindole-4-carboxamide
CID 53159962

Frequently Asked Questions

What is the IUPAC name of 1-N-(4-methylphenyl)-4-N-(2-methylpropyl)-2,3-dihydroindole-1,4-dicarboxamide?
The IUPAC name of 1-N-(4-methylphenyl)-4-N-(2-methylpropyl)-2,3-dihydroindole-1,4-dicarboxamide (CID 53160081) is 1-N-(4-methylphenyl)-4-N-(2-methylpropyl)-2,3-dihydroindole-1,4-dicarboxamide.
What is the SMILES notation for 1-N-(4-methylphenyl)-4-N-(2-methylpropyl)-2,3-dihydroindole-1,4-dicarboxamide?
The canonical SMILES for 1-N-(4-methylphenyl)-4-N-(2-methylpropyl)-2,3-dihydroindole-1,4-dicarboxamide is Cc1ccc(NC(=O)N2CCc3c(C(=O)NCC(C)C)cccc32)cc1.
What is the InChIKey of 1-N-(4-methylphenyl)-4-N-(2-methylpropyl)-2,3-dihydroindole-1,4-dicarboxamide?
The InChIKey is YLHHNDVEGSGHML-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-14(2)13-22-20(25)18-5-4-6-19-17(18)11-12-24(19)21(26)23-16-9-7-15(3)8-10-16/h4-10,14H,11-13H2,1-3H3,(H,22,25)(H,23,26).
What are the key properties of 1-N-(4-methylphenyl)-4-N-(2-methylpropyl)-2,3-dihydroindole-1,4-dicarboxamide?
1-N-(4-methylphenyl)-4-N-(2-methylpropyl)-2,3-dihydroindole-1,4-dicarboxamide has a molecular weight of 351.45 g/mol, XLogP of 3.98, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-methylphenyl)-4-N-(2-methylpropyl)-2,3-dihydroindole-1,4-dicarboxamide is sourced from PubChem (CID 53160081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).