3-cyclopentyl-N-[[(2S)-1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]propanamide

C26H32N2O3 — CID 95081653

IUPAC3-cyclopentyl-N-[[(2S)-1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]propanamide
SMILESCOc1ccc(C(=O)N2c3cc(CNC(=O)CCC4CCCC4)ccc3C[C@@H]2C)cc1
InChIInChI=1S/C26H32N2O3/c1-18-15-22-9-7-20(17-27-25(29)14-8-19-5-3-4-6-19)16-24(22)28(18)26(30)21-10-12-23(31-2)13-11-21/h7,9-13,16,18-19H,3-6,8,14-15,17H2,1-2H3,(H,27,29)/t18-/m0/s1
InChIKeyJGJIZCSGDRIHRS-SFHVURJKSA-N
MW420.55 g/mol
LogP4.87
Rot. Bonds7

About 3-cyclopentyl-N-[[(2S)-1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]propanamide

3-cyclopentyl-N-[[(2S)-1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]propanamide (PubChem CID 95081653) has the molecular formula C26H32N2O3 and a molecular weight of 420.55 g/mol. Its IUPAC name is 3-cyclopentyl-N-[[(2S)-1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]propanamide.

Molecular Properties

Compound Name3-cyclopentyl-N-[[(2S)-1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]propanamide
PubChem CID95081653
Molecular FormulaC26H32N2O3
Molecular Weight420.55 g/mol
Exact Mass420.24
IUPAC Name3-cyclopentyl-N-[[(2S)-1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]propanamide
SMILESCOc1ccc(C(=O)N2c3cc(CNC(=O)CCC4CCCC4)ccc3C[C@@H]2C)cc1
InChIInChI=1S/C26H32N2O3/c1-18-15-22-9-7-20(17-27-25(29)14-8-19-5-3-4-6-19)16-24(22)28(18)26(30)21-10-12-23(31-2)13-11-21/h7,9-13,16,18-19H,3-6,8,14-15,17H2,1-2H3,(H,27,29)/t18-/m0/s1
InChIKeyJGJIZCSGDRIHRS-SFHVURJKSA-N
XLogP4.87
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.55
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[(2R)-1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]-3-phenylpropanamide
CID 95081696
N-[[1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]-3-phenylpropanamide
CID 53099403
N-[[1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]-2-(4-methoxyphenoxy)acetamide
CID 53099425
N-[[(2S)-1-benzoyl-2-methyl-2,3-dihydroindol-6-yl]methyl]-3-(4-methoxyphenyl)propanamide
CID 95081569
N-[[(2S)-1-benzoyl-2-methyl-2,3-dihydroindol-6-yl]methyl]-2-(4-methoxyphenyl)acetamide
CID 95081567
N-[[(2S)-1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]-2-(3-methoxyphenyl)acetamide
CID 95081667
2-(4-chlorophenoxy)-N-[[(2R)-1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]acetamide
CID 95081704
2-(2-chlorophenyl)-N-[[1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]acetamide
CID 53099410
N-[(1-benzoyl-2-methyl-2,3-dihydroindol-6-yl)methyl]-2-(4-methoxyphenoxy)acetamide
CID 53099241
N-[[1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]propane-1-sulfonamide
CID 53102687
4-cyano-N-[[(2R)-1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]benzamide
CID 95081648
2,6-difluoro-N-[[(2S)-1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]benzamide
CID 95081709

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-[[(2S)-1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]propanamide?
The IUPAC name of 3-cyclopentyl-N-[[(2S)-1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]propanamide (CID 95081653) is 3-cyclopentyl-N-[[(2S)-1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]propanamide.
What is the SMILES notation for 3-cyclopentyl-N-[[(2S)-1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]propanamide?
The canonical SMILES for 3-cyclopentyl-N-[[(2S)-1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]propanamide is COc1ccc(C(=O)N2c3cc(CNC(=O)CCC4CCCC4)ccc3C[C@@H]2C)cc1.
What is the InChIKey of 3-cyclopentyl-N-[[(2S)-1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]propanamide?
The InChIKey is JGJIZCSGDRIHRS-SFHVURJKSA-N. The full InChI is InChI=1S/C26H32N2O3/c1-18-15-22-9-7-20(17-27-25(29)14-8-19-5-3-4-6-19)16-24(22)28(18)26(30)21-10-12-23(31-2)13-11-21/h7,9-13,16,18-19H,3-6,8,14-15,17H2,1-2H3,(H,27,29)/t18-/m0/s1.
What are the key properties of 3-cyclopentyl-N-[[(2S)-1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]propanamide?
3-cyclopentyl-N-[[(2S)-1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]propanamide has a molecular weight of 420.55 g/mol, XLogP of 4.87, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-[[(2S)-1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]propanamide is sourced from PubChem (CID 95081653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).