N-[[(2R)-1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]-3-phenylpropanamide

C27H28N2O3 — CID 95081696

IUPACN-[[(2R)-1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]-3-phenylpropanamide
SMILESCOc1ccc(C(=O)N2c3cc(CNC(=O)CCc4ccccc4)ccc3C[C@H]2C)cc1
InChIInChI=1S/C27H28N2O3/c1-19-16-23-10-8-21(18-28-26(30)15-9-20-6-4-3-5-7-20)17-25(23)29(19)27(31)22-11-13-24(32-2)14-12-22/h3-8,10-14,17,19H,9,15-16,18H2,1-2H3,(H,28,30)/t19-/m1/s1
InChIKeyKPAQFWGXEHWTQF-LJQANCHMSA-N
MW428.53 g/mol
LogP4.54
Rot. Bonds7

About N-[[(2R)-1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]-3-phenylpropanamide

N-[[(2R)-1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]-3-phenylpropanamide (PubChem CID 95081696) has the molecular formula C27H28N2O3 and a molecular weight of 428.53 g/mol. Its IUPAC name is N-[[(2R)-1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[[(2R)-1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]-3-phenylpropanamide
PubChem CID95081696
Molecular FormulaC27H28N2O3
Molecular Weight428.53 g/mol
Exact Mass428.21
IUPAC NameN-[[(2R)-1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]-3-phenylpropanamide
SMILESCOc1ccc(C(=O)N2c3cc(CNC(=O)CCc4ccccc4)ccc3C[C@H]2C)cc1
InChIInChI=1S/C27H28N2O3/c1-19-16-23-10-8-21(18-28-26(30)15-9-20-6-4-3-5-7-20)17-25(23)29(19)27(31)22-11-13-24(32-2)14-12-22/h3-8,10-14,17,19H,9,15-16,18H2,1-2H3,(H,28,30)/t19-/m1/s1
InChIKeyKPAQFWGXEHWTQF-LJQANCHMSA-N
XLogP4.54
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.53
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]-3-phenylpropanamide
CID 53099403
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-[(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]-2-(4-methoxyphenoxy)acetamide
CID 53099425
N-[[(2S)-1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]-2-(3-methoxyphenyl)acetamide
CID 95081667
2-(2-chlorophenyl)-N-[[1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]acetamide
CID 53099410
3-cyclopentyl-N-[[(2S)-1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]propanamide
CID 95081653
2-(4-chlorophenoxy)-N-[[(2R)-1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]acetamide
CID 95081704
1-[(1-benzoyl-2-methyl-2,3-dihydroindol-6-yl)methyl]-3-(4-methoxyphenyl)urea
CID 53099578
N-[[(2S)-1-benzoyl-2-methyl-2,3-dihydroindol-6-yl]methyl]-2-phenylacetamide
CID 95081623
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 N-[[(2R)-1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]-3-phenylpropanamide?
The IUPAC name of N-[[(2R)-1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]-3-phenylpropanamide (CID 95081696) is N-[[(2R)-1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]-3-phenylpropanamide.
What is the SMILES notation for N-[[(2R)-1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]-3-phenylpropanamide?
The canonical SMILES for N-[[(2R)-1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]-3-phenylpropanamide is COc1ccc(C(=O)N2c3cc(CNC(=O)CCc4ccccc4)ccc3C[C@H]2C)cc1.
What is the InChIKey of N-[[(2R)-1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]-3-phenylpropanamide?
The InChIKey is KPAQFWGXEHWTQF-LJQANCHMSA-N. The full InChI is InChI=1S/C27H28N2O3/c1-19-16-23-10-8-21(18-28-26(30)15-9-20-6-4-3-5-7-20)17-25(23)29(19)27(31)22-11-13-24(32-2)14-12-22/h3-8,10-14,17,19H,9,15-16,18H2,1-2H3,(H,28,30)/t19-/m1/s1.
What are the key properties of N-[[(2R)-1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]-3-phenylpropanamide?
N-[[(2R)-1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]-3-phenylpropanamide has a molecular weight of 428.53 g/mol, XLogP of 4.54, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]-3-phenylpropanamide is sourced from PubChem (CID 95081696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).