N,N-dihexyl-2-(1-methyl-2-phenylindol-3-yl)-2-oxoacetamide

C29H38N2O2 — CID 50994132

IUPACN,N-dihexyl-2-(1-methyl-2-phenylindol-3-yl)-2-oxoacetamide
SMILESCCCCCCN(CCCCCC)C(=O)C(=O)c1c(-c2ccccc2)n(C)c2ccccc12
InChIInChI=1S/C29H38N2O2/c1-4-6-8-15-21-31(22-16-9-7-5-2)29(33)28(32)26-24-19-13-14-20-25(24)30(3)27(26)23-17-11-10-12-18-23/h10-14,17-20H,4-9,15-16,21-22H2,1-3H3
InChIKeyBVTZDZRXVAOZCK-UHFFFAOYSA-N
MW446.64 g/mol
LogP7.02
Rot. Bonds13

About N,N-dihexyl-2-(1-methyl-2-phenylindol-3-yl)-2-oxoacetamide

N,N-dihexyl-2-(1-methyl-2-phenylindol-3-yl)-2-oxoacetamide (PubChem CID 50994132) has the molecular formula C29H38N2O2 and a molecular weight of 446.64 g/mol. Its IUPAC name is N,N-dihexyl-2-(1-methyl-2-phenylindol-3-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN,N-dihexyl-2-(1-methyl-2-phenylindol-3-yl)-2-oxoacetamide
PubChem CID50994132
Molecular FormulaC29H38N2O2
Molecular Weight446.64 g/mol
Exact Mass446.29
IUPAC NameN,N-dihexyl-2-(1-methyl-2-phenylindol-3-yl)-2-oxoacetamide
SMILESCCCCCCN(CCCCCC)C(=O)C(=O)c1c(-c2ccccc2)n(C)c2ccccc12
InChIInChI=1S/C29H38N2O2/c1-4-6-8-15-21-31(22-16-9-7-5-2)29(33)28(32)26-24-19-13-14-20-25(24)30(3)27(26)23-17-11-10-12-18-23/h10-14,17-20H,4-9,15-16,21-22H2,1-3H3
InChIKeyBVTZDZRXVAOZCK-UHFFFAOYSA-N
XLogP7.02
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.64
LogP ≤ 57.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dihexyl-2-(1-methyl-2-phenylindol-3-yl)-2-oxoacetamide?
The IUPAC name of N,N-dihexyl-2-(1-methyl-2-phenylindol-3-yl)-2-oxoacetamide (CID 50994132) is N,N-dihexyl-2-(1-methyl-2-phenylindol-3-yl)-2-oxoacetamide.
What is the SMILES notation for N,N-dihexyl-2-(1-methyl-2-phenylindol-3-yl)-2-oxoacetamide?
The canonical SMILES for N,N-dihexyl-2-(1-methyl-2-phenylindol-3-yl)-2-oxoacetamide is CCCCCCN(CCCCCC)C(=O)C(=O)c1c(-c2ccccc2)n(C)c2ccccc12.
What is the InChIKey of N,N-dihexyl-2-(1-methyl-2-phenylindol-3-yl)-2-oxoacetamide?
The InChIKey is BVTZDZRXVAOZCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38N2O2/c1-4-6-8-15-21-31(22-16-9-7-5-2)29(33)28(32)26-24-19-13-14-20-25(24)30(3)27(26)23-17-11-10-12-18-23/h10-14,17-20H,4-9,15-16,21-22H2,1-3H3.
What are the key properties of N,N-dihexyl-2-(1-methyl-2-phenylindol-3-yl)-2-oxoacetamide?
N,N-dihexyl-2-(1-methyl-2-phenylindol-3-yl)-2-oxoacetamide has a molecular weight of 446.64 g/mol, XLogP of 7.02, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dihexyl-2-(1-methyl-2-phenylindol-3-yl)-2-oxoacetamide is sourced from PubChem (CID 50994132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).