N-methyl-2-[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]-N,3-diphenylpropanamide

C27H27N3O2 — CID 75281705

IUPACN-methyl-2-[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]-N,3-diphenylpropanamide
SMILESCc1[nH]c2ccccc2c1CC(=O)NC(Cc1ccccc1)C(=O)N(C)c1ccccc1
InChIInChI=1S/C27H27N3O2/c1-19-23(22-15-9-10-16-24(22)28-19)18-26(31)29-25(17-20-11-5-3-6-12-20)27(32)30(2)21-13-7-4-8-14-21/h3-16,25,28H,17-18H2,1-2H3,(H,29,31)
InChIKeyACDFWSNAQWFRRF-UHFFFAOYSA-N
MW425.53 g/mol
LogP4.41
Rot. Bonds7

About N-methyl-2-[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]-N,3-diphenylpropanamide

N-methyl-2-[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]-N,3-diphenylpropanamide (PubChem CID 75281705) has the molecular formula C27H27N3O2 and a molecular weight of 425.53 g/mol. Its IUPAC name is N-methyl-2-[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]-N,3-diphenylpropanamide.

Molecular Properties

Compound NameN-methyl-2-[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]-N,3-diphenylpropanamide
PubChem CID75281705
Molecular FormulaC27H27N3O2
Molecular Weight425.53 g/mol
Exact Mass425.21
IUPAC NameN-methyl-2-[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]-N,3-diphenylpropanamide
SMILESCc1[nH]c2ccccc2c1CC(=O)NC(Cc1ccccc1)C(=O)N(C)c1ccccc1
InChIInChI=1S/C27H27N3O2/c1-19-23(22-15-9-10-16-24(22)28-19)18-26(31)29-25(17-20-11-5-3-6-12-20)27(32)30(2)21-13-7-4-8-14-21/h3-16,25,28H,17-18H2,1-2H3,(H,29,31)
InChIKeyACDFWSNAQWFRRF-UHFFFAOYSA-N
XLogP4.41
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]-N,3-diphenylpropanamide?
The IUPAC name of N-methyl-2-[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]-N,3-diphenylpropanamide (CID 75281705) is N-methyl-2-[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]-N,3-diphenylpropanamide.
What is the SMILES notation for N-methyl-2-[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]-N,3-diphenylpropanamide?
The canonical SMILES for N-methyl-2-[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]-N,3-diphenylpropanamide is Cc1[nH]c2ccccc2c1CC(=O)NC(Cc1ccccc1)C(=O)N(C)c1ccccc1.
What is the InChIKey of N-methyl-2-[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]-N,3-diphenylpropanamide?
The InChIKey is ACDFWSNAQWFRRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O2/c1-19-23(22-15-9-10-16-24(22)28-19)18-26(31)29-25(17-20-11-5-3-6-12-20)27(32)30(2)21-13-7-4-8-14-21/h3-16,25,28H,17-18H2,1-2H3,(H,29,31).
What are the key properties of N-methyl-2-[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]-N,3-diphenylpropanamide?
N-methyl-2-[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]-N,3-diphenylpropanamide has a molecular weight of 425.53 g/mol, XLogP of 4.41, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]-N,3-diphenylpropanamide is sourced from PubChem (CID 75281705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).