methyl 4-[[2-(2,3-dihydroindole-1-carbonyl)cyclohexanecarbonyl]amino]benzoate

C24H26N2O4 — CID 55347711

IUPACmethyl 4-[[2-(2,3-dihydroindole-1-carbonyl)cyclohexanecarbonyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)C2CCCCC2C(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C24H26N2O4/c1-30-24(29)17-10-12-18(13-11-17)25-22(27)19-7-3-4-8-20(19)23(28)26-15-14-16-6-2-5-9-21(16)26/h2,5-6,9-13,19-20H,3-4,7-8,14-15H2,1H3,(H,25,27)
InChIKeyLZGIAAJHJGBMLG-UHFFFAOYSA-N
MW406.48 g/mol
LogP3.81
Rot. Bonds4

About methyl 4-[[2-(2,3-dihydroindole-1-carbonyl)cyclohexanecarbonyl]amino]benzoate

methyl 4-[[2-(2,3-dihydroindole-1-carbonyl)cyclohexanecarbonyl]amino]benzoate (PubChem CID 55347711) has the molecular formula C24H26N2O4 and a molecular weight of 406.48 g/mol. Its IUPAC name is methyl 4-[[2-(2,3-dihydroindole-1-carbonyl)cyclohexanecarbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[2-(2,3-dihydroindole-1-carbonyl)cyclohexanecarbonyl]amino]benzoate
PubChem CID55347711
Molecular FormulaC24H26N2O4
Molecular Weight406.48 g/mol
Exact Mass406.19
IUPAC Namemethyl 4-[[2-(2,3-dihydroindole-1-carbonyl)cyclohexanecarbonyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)C2CCCCC2C(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C24H26N2O4/c1-30-24(29)17-10-12-18(13-11-17)25-22(27)19-7-3-4-8-20(19)23(28)26-15-14-16-6-2-5-9-21(16)26/h2,5-6,9-13,19-20H,3-4,7-8,14-15H2,1H3,(H,25,27)
InChIKeyLZGIAAJHJGBMLG-UHFFFAOYSA-N
XLogP3.81
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 4-[[2-(2,3-dihydroindole-1-carbonyl)cyclohexanecarbonyl]amino]benzoate with MolForge

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Related Compounds

cis-(1S,2R)-2-(2,3-dihydroindole-1-carbonyl)-N-(3,5-dimethoxyphenyl)cyclohexane-1-carboxamide
CID 30880312
4-[[(1S,2S)-2-(2,3-dihydroindole-1-carbonyl)cyclohexanecarbonyl]amino]-N-(4-ethoxyphenyl)benzamide
CID 26057672
2-(2,3-dihydroindole-1-carbonyl)-N-(3-methylsulfanylphenyl)cyclohexane-1-carboxamide
CID 46421494
methyl (E)-4-[[(1R,2S)-2-(2,3-dihydroindole-1-carbonyl)cyclohexanecarbonyl]amino]but-2-enoate
CID 146095874
2-(2,3-dihydroindole-1-carbonyl)-N-(2-methyl-1,3-benzoxazol-5-yl)cyclohexane-1-carboxamide
CID 42893823
trans-(1S,2S)-2-[[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]carbamoyl]cyclohexane-1-carboxylate
CID 7366932
2-(2,3-dihydroindole-1-carbonyl)-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
CID 51166570
methyl 2-[[2-(2,3-dihydroindole-1-carbonyl)cyclopropanecarbonyl]amino]benzoate
CID 109141365
4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(4-methoxyphenyl)cyclohexane-1-carboxamide
CID 109150620
N-[4-(diethylamino)phenyl]-2-(2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxamide
CID 109141370
2-(2,3-dihydroindole-1-carbonyl)-N-[(3,4,5-trimethoxyphenyl)methyl]cyclohexane-1-carboxamide
CID 46613887
[1-[4-(dimethylamino)anilino]-1-oxopropan-2-yl] 2-(2,3-dihydroindole-1-carbonyl)cyclohexane-1-carboxylate
CID 55305730

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-(2,3-dihydroindole-1-carbonyl)cyclohexanecarbonyl]amino]benzoate?
The IUPAC name of methyl 4-[[2-(2,3-dihydroindole-1-carbonyl)cyclohexanecarbonyl]amino]benzoate (CID 55347711) is methyl 4-[[2-(2,3-dihydroindole-1-carbonyl)cyclohexanecarbonyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[2-(2,3-dihydroindole-1-carbonyl)cyclohexanecarbonyl]amino]benzoate?
The canonical SMILES for methyl 4-[[2-(2,3-dihydroindole-1-carbonyl)cyclohexanecarbonyl]amino]benzoate is COC(=O)c1ccc(NC(=O)C2CCCCC2C(=O)N2CCc3ccccc32)cc1.
What is the InChIKey of methyl 4-[[2-(2,3-dihydroindole-1-carbonyl)cyclohexanecarbonyl]amino]benzoate?
The InChIKey is LZGIAAJHJGBMLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4/c1-30-24(29)17-10-12-18(13-11-17)25-22(27)19-7-3-4-8-20(19)23(28)26-15-14-16-6-2-5-9-21(16)26/h2,5-6,9-13,19-20H,3-4,7-8,14-15H2,1H3,(H,25,27).
What are the key properties of methyl 4-[[2-(2,3-dihydroindole-1-carbonyl)cyclohexanecarbonyl]amino]benzoate?
methyl 4-[[2-(2,3-dihydroindole-1-carbonyl)cyclohexanecarbonyl]amino]benzoate has a molecular weight of 406.48 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-(2,3-dihydroindole-1-carbonyl)cyclohexanecarbonyl]amino]benzoate is sourced from PubChem (CID 55347711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).