N,N-dihexyl-2-(7-methyl-2-phenyl-1H-indol-3-yl)-2-oxoacetamide

C29H38N2O2 — CID 25107851

IUPACN,N-dihexyl-2-(7-methyl-2-phenyl-1H-indol-3-yl)-2-oxoacetamide
SMILESCCCCCCN(CCCCCC)C(=O)C(=O)c1c(-c2ccccc2)[nH]c2c(C)cccc12
InChIInChI=1S/C29H38N2O2/c1-4-6-8-13-20-31(21-14-9-7-5-2)29(33)28(32)25-24-19-15-16-22(3)26(24)30-27(25)23-17-11-10-12-18-23/h10-12,15-19,30H,4-9,13-14,20-21H2,1-3H3
InChIKeyGPUJOZUASMEZGM-UHFFFAOYSA-N
MW446.64 g/mol
LogP7.32
Rot. Bonds13

About N,N-dihexyl-2-(7-methyl-2-phenyl-1H-indol-3-yl)-2-oxoacetamide

N,N-dihexyl-2-(7-methyl-2-phenyl-1H-indol-3-yl)-2-oxoacetamide (PubChem CID 25107851) has the molecular formula C29H38N2O2 and a molecular weight of 446.64 g/mol. Its IUPAC name is N,N-dihexyl-2-(7-methyl-2-phenyl-1H-indol-3-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN,N-dihexyl-2-(7-methyl-2-phenyl-1H-indol-3-yl)-2-oxoacetamide
PubChem CID25107851
Molecular FormulaC29H38N2O2
Molecular Weight446.64 g/mol
Exact Mass446.29
IUPAC NameN,N-dihexyl-2-(7-methyl-2-phenyl-1H-indol-3-yl)-2-oxoacetamide
SMILESCCCCCCN(CCCCCC)C(=O)C(=O)c1c(-c2ccccc2)[nH]c2c(C)cccc12
InChIInChI=1S/C29H38N2O2/c1-4-6-8-13-20-31(21-14-9-7-5-2)29(33)28(32)25-24-19-15-16-22(3)26(24)30-27(25)23-17-11-10-12-18-23/h10-12,15-19,30H,4-9,13-14,20-21H2,1-3H3
InChIKeyGPUJOZUASMEZGM-UHFFFAOYSA-N
XLogP7.32
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.64
LogP ≤ 57.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-oxo-N,N-dipentyl-2-(2-phenyl-1H-indol-3-yl)acetamide
CID 11350240
2-(5-fluoro-2-phenyl-1H-indol-3-yl)-N,N-dihexyl-2-oxoacetamide
CID 25107779
2-[2-(4-aminophenyl)-1H-indol-3-yl]-N,N-dihexyl-2-oxoacetamide
CID 122183500
N,N-dibutyl-2-(2-naphthalen-2-yl-1H-indol-3-yl)-2-oxoacetamide
CID 122183517
2-(5-nitro-2-phenyl-1H-indol-3-yl)-2-oxo-N,N-dipropylacetamide
CID 25107713
2-[2-(4-nitrophenyl)-1H-indol-3-yl]-2-oxo-N,N-dipropylacetamide
CID 25108097
N,N-diethyl-2,7-dimethyl-1H-indole-3-carboxamide
CID 110855138
1,1-di(tetradecyl)urea;1,2-xylene
CID 66809086
2-methyl-N,N-dipentylbenzamide
CID 4576290
2-[7-methyl-2-(2-methylphenyl)-1H-indol-3-yl]prop-2-enoic acid
CID 176958563
2,7-dimethyl-N-propyl-1H-indole-3-carboxamide
CID 65335219
ethyl 4-methyl-2-phenyl-1H-indole-3-carboxylate
CID 138982192

Frequently Asked Questions

What is the IUPAC name of N,N-dihexyl-2-(7-methyl-2-phenyl-1H-indol-3-yl)-2-oxoacetamide?
The IUPAC name of N,N-dihexyl-2-(7-methyl-2-phenyl-1H-indol-3-yl)-2-oxoacetamide (CID 25107851) is N,N-dihexyl-2-(7-methyl-2-phenyl-1H-indol-3-yl)-2-oxoacetamide.
What is the SMILES notation for N,N-dihexyl-2-(7-methyl-2-phenyl-1H-indol-3-yl)-2-oxoacetamide?
The canonical SMILES for N,N-dihexyl-2-(7-methyl-2-phenyl-1H-indol-3-yl)-2-oxoacetamide is CCCCCCN(CCCCCC)C(=O)C(=O)c1c(-c2ccccc2)[nH]c2c(C)cccc12.
What is the InChIKey of N,N-dihexyl-2-(7-methyl-2-phenyl-1H-indol-3-yl)-2-oxoacetamide?
The InChIKey is GPUJOZUASMEZGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38N2O2/c1-4-6-8-13-20-31(21-14-9-7-5-2)29(33)28(32)25-24-19-15-16-22(3)26(24)30-27(25)23-17-11-10-12-18-23/h10-12,15-19,30H,4-9,13-14,20-21H2,1-3H3.
What are the key properties of N,N-dihexyl-2-(7-methyl-2-phenyl-1H-indol-3-yl)-2-oxoacetamide?
N,N-dihexyl-2-(7-methyl-2-phenyl-1H-indol-3-yl)-2-oxoacetamide has a molecular weight of 446.64 g/mol, XLogP of 7.32, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dihexyl-2-(7-methyl-2-phenyl-1H-indol-3-yl)-2-oxoacetamide is sourced from PubChem (CID 25107851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).