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

C27H28N2O3 — CID 95081569

IUPACN-[[(2S)-1-benzoyl-2-methyl-2,3-dihydroindol-6-yl]methyl]-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NCc2ccc3c(c2)N(C(=O)c2ccccc2)[C@@H](C)C3)cc1
InChIInChI=1S/C27H28N2O3/c1-19-16-23-12-8-21(17-25(23)29(19)27(31)22-6-4-3-5-7-22)18-28-26(30)15-11-20-9-13-24(32-2)14-10-20/h3-10,12-14,17,19H,11,15-16,18H2,1-2H3,(H,28,30)/t19-/m0/s1
InChIKeyZGPFSNOHFPNUMW-IBGZPJMESA-N
MW428.53 g/mol
LogP4.54
Rot. Bonds7

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

N-[[(2S)-1-benzoyl-2-methyl-2,3-dihydroindol-6-yl]methyl]-3-(4-methoxyphenyl)propanamide (PubChem CID 95081569) has the molecular formula C27H28N2O3 and a molecular weight of 428.53 g/mol. Its IUPAC name is N-[[(2S)-1-benzoyl-2-methyl-2,3-dihydroindol-6-yl]methyl]-3-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[[(2S)-1-benzoyl-2-methyl-2,3-dihydroindol-6-yl]methyl]-3-(4-methoxyphenyl)propanamide
PubChem CID95081569
Molecular FormulaC27H28N2O3
Molecular Weight428.53 g/mol
Exact Mass428.21
IUPAC NameN-[[(2S)-1-benzoyl-2-methyl-2,3-dihydroindol-6-yl]methyl]-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NCc2ccc3c(c2)N(C(=O)c2ccccc2)[C@@H](C)C3)cc1
InChIInChI=1S/C27H28N2O3/c1-19-16-23-12-8-21(17-25(23)29(19)27(31)22-6-4-3-5-7-22)18-28-26(30)15-11-20-9-13-24(32-2)14-10-20/h3-10,12-14,17,19H,11,15-16,18H2,1-2H3,(H,28,30)/t19-/m0/s1
InChIKeyZGPFSNOHFPNUMW-IBGZPJMESA-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-[[(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-[[(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
1-[(1-benzoyl-2-methyl-2,3-dihydroindol-6-yl)methyl]-3-(4-methoxyphenyl)urea
CID 53099578
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
N-[[(2S)-1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]-2-(3-methoxyphenyl)acetamide
CID 95081667
N-[[(2S)-1-benzoyl-2-methyl-2,3-dihydroindol-6-yl]methyl]-2-phenylacetamide
CID 95081623
2-(4-chlorophenoxy)-N-[[(2R)-1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]acetamide
CID 95081704
1-[[(2S)-1-benzoyl-2-methyl-2,3-dihydroindol-6-yl]methyl]-3-(2,5-dimethoxyphenyl)urea
CID 95081799

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-1-benzoyl-2-methyl-2,3-dihydroindol-6-yl]methyl]-3-(4-methoxyphenyl)propanamide?
The IUPAC name of N-[[(2S)-1-benzoyl-2-methyl-2,3-dihydroindol-6-yl]methyl]-3-(4-methoxyphenyl)propanamide (CID 95081569) is N-[[(2S)-1-benzoyl-2-methyl-2,3-dihydroindol-6-yl]methyl]-3-(4-methoxyphenyl)propanamide.
What is the SMILES notation for N-[[(2S)-1-benzoyl-2-methyl-2,3-dihydroindol-6-yl]methyl]-3-(4-methoxyphenyl)propanamide?
The canonical SMILES for N-[[(2S)-1-benzoyl-2-methyl-2,3-dihydroindol-6-yl]methyl]-3-(4-methoxyphenyl)propanamide is COc1ccc(CCC(=O)NCc2ccc3c(c2)N(C(=O)c2ccccc2)[C@@H](C)C3)cc1.
What is the InChIKey of N-[[(2S)-1-benzoyl-2-methyl-2,3-dihydroindol-6-yl]methyl]-3-(4-methoxyphenyl)propanamide?
The InChIKey is ZGPFSNOHFPNUMW-IBGZPJMESA-N. The full InChI is InChI=1S/C27H28N2O3/c1-19-16-23-12-8-21(17-25(23)29(19)27(31)22-6-4-3-5-7-22)18-28-26(30)15-11-20-9-13-24(32-2)14-10-20/h3-10,12-14,17,19H,11,15-16,18H2,1-2H3,(H,28,30)/t19-/m0/s1.
What are the key properties of N-[[(2S)-1-benzoyl-2-methyl-2,3-dihydroindol-6-yl]methyl]-3-(4-methoxyphenyl)propanamide?
N-[[(2S)-1-benzoyl-2-methyl-2,3-dihydroindol-6-yl]methyl]-3-(4-methoxyphenyl)propanamide 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-[[(2S)-1-benzoyl-2-methyl-2,3-dihydroindol-6-yl]methyl]-3-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 95081569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).