N,N-dihexyl-2-(2-phenyl-1H-indol-3-yl)acetamide

C28H38N2O — CID 10454732

IUPACN,N-dihexyl-2-(2-phenyl-1H-indol-3-yl)acetamide
SMILESCCCCCCN(CCCCCC)C(=O)Cc1c(-c2ccccc2)[nH]c2ccccc12
InChIInChI=1S/C28H38N2O/c1-3-5-7-14-20-30(21-15-8-6-4-2)27(31)22-25-24-18-12-13-19-26(24)29-28(25)23-16-10-9-11-17-23/h9-13,16-19,29H,3-8,14-15,20-22H2,1-2H3
InChIKeyGGNLGBYSSQXGBN-UHFFFAOYSA-N
MW418.63 g/mol
LogP7.37
Rot. Bonds13

About N,N-dihexyl-2-(2-phenyl-1H-indol-3-yl)acetamide

N,N-dihexyl-2-(2-phenyl-1H-indol-3-yl)acetamide (PubChem CID 10454732) has the molecular formula C28H38N2O and a molecular weight of 418.63 g/mol. Its IUPAC name is N,N-dihexyl-2-(2-phenyl-1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN,N-dihexyl-2-(2-phenyl-1H-indol-3-yl)acetamide
PubChem CID10454732
Molecular FormulaC28H38N2O
Molecular Weight418.63 g/mol
Exact Mass418.30
IUPAC NameN,N-dihexyl-2-(2-phenyl-1H-indol-3-yl)acetamide
SMILESCCCCCCN(CCCCCC)C(=O)Cc1c(-c2ccccc2)[nH]c2ccccc12
InChIInChI=1S/C28H38N2O/c1-3-5-7-14-20-30(21-15-8-6-4-2)27(31)22-25-24-18-12-13-19-26(24)29-28(25)23-16-10-9-11-17-23/h9-13,16-19,29H,3-8,14-15,20-22H2,1-2H3
InChIKeyGGNLGBYSSQXGBN-UHFFFAOYSA-N
XLogP7.37
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.63
LogP ≤ 57.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dihexyl-2-(2-phenyl-1H-indol-3-yl)acetamide?
The IUPAC name of N,N-dihexyl-2-(2-phenyl-1H-indol-3-yl)acetamide (CID 10454732) is N,N-dihexyl-2-(2-phenyl-1H-indol-3-yl)acetamide.
What is the SMILES notation for N,N-dihexyl-2-(2-phenyl-1H-indol-3-yl)acetamide?
The canonical SMILES for N,N-dihexyl-2-(2-phenyl-1H-indol-3-yl)acetamide is CCCCCCN(CCCCCC)C(=O)Cc1c(-c2ccccc2)[nH]c2ccccc12.
What is the InChIKey of N,N-dihexyl-2-(2-phenyl-1H-indol-3-yl)acetamide?
The InChIKey is GGNLGBYSSQXGBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38N2O/c1-3-5-7-14-20-30(21-15-8-6-4-2)27(31)22-25-24-18-12-13-19-26(24)29-28(25)23-16-10-9-11-17-23/h9-13,16-19,29H,3-8,14-15,20-22H2,1-2H3.
What are the key properties of N,N-dihexyl-2-(2-phenyl-1H-indol-3-yl)acetamide?
N,N-dihexyl-2-(2-phenyl-1H-indol-3-yl)acetamide has a molecular weight of 418.63 g/mol, XLogP of 7.37, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dihexyl-2-(2-phenyl-1H-indol-3-yl)acetamide is sourced from PubChem (CID 10454732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).