N,N-dihexyl-2-(2-naphthalen-2-yl-1H-indol-3-yl)-2-oxoacetamide

C32H38N2O2 — CID 122183518

IUPACN,N-dihexyl-2-(2-naphthalen-2-yl-1H-indol-3-yl)-2-oxoacetamide
SMILESCCCCCCN(CCCCCC)C(=O)C(=O)c1c(-c2ccc3ccccc3c2)[nH]c2ccccc12
InChIInChI=1S/C32H38N2O2/c1-3-5-7-13-21-34(22-14-8-6-4-2)32(36)31(35)29-27-17-11-12-18-28(27)33-30(29)26-20-19-24-15-9-10-16-25(24)23-26/h9-12,15-20,23,33H,3-8,13-14,21-22H2,1-2H3
InChIKeyJRVWNMBDNLIHGB-UHFFFAOYSA-N
MW482.67 g/mol
LogP8.16
Rot. Bonds13

About N,N-dihexyl-2-(2-naphthalen-2-yl-1H-indol-3-yl)-2-oxoacetamide

N,N-dihexyl-2-(2-naphthalen-2-yl-1H-indol-3-yl)-2-oxoacetamide (PubChem CID 122183518) has the molecular formula C32H38N2O2 and a molecular weight of 482.67 g/mol. Its IUPAC name is N,N-dihexyl-2-(2-naphthalen-2-yl-1H-indol-3-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN,N-dihexyl-2-(2-naphthalen-2-yl-1H-indol-3-yl)-2-oxoacetamide
PubChem CID122183518
Molecular FormulaC32H38N2O2
Molecular Weight482.67 g/mol
Exact Mass482.29
IUPAC NameN,N-dihexyl-2-(2-naphthalen-2-yl-1H-indol-3-yl)-2-oxoacetamide
SMILESCCCCCCN(CCCCCC)C(=O)C(=O)c1c(-c2ccc3ccccc3c2)[nH]c2ccccc12
InChIInChI=1S/C32H38N2O2/c1-3-5-7-13-21-34(22-14-8-6-4-2)32(36)31(35)29-27-17-11-12-18-28(27)33-30(29)26-20-19-24-15-9-10-16-25(24)23-26/h9-12,15-20,23,33H,3-8,13-14,21-22H2,1-2H3
InChIKeyJRVWNMBDNLIHGB-UHFFFAOYSA-N
XLogP8.16
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.67
LogP ≤ 58.16
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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Frequently Asked Questions

What is the IUPAC name of N,N-dihexyl-2-(2-naphthalen-2-yl-1H-indol-3-yl)-2-oxoacetamide?
The IUPAC name of N,N-dihexyl-2-(2-naphthalen-2-yl-1H-indol-3-yl)-2-oxoacetamide (CID 122183518) is N,N-dihexyl-2-(2-naphthalen-2-yl-1H-indol-3-yl)-2-oxoacetamide.
What is the SMILES notation for N,N-dihexyl-2-(2-naphthalen-2-yl-1H-indol-3-yl)-2-oxoacetamide?
The canonical SMILES for N,N-dihexyl-2-(2-naphthalen-2-yl-1H-indol-3-yl)-2-oxoacetamide is CCCCCCN(CCCCCC)C(=O)C(=O)c1c(-c2ccc3ccccc3c2)[nH]c2ccccc12.
What is the InChIKey of N,N-dihexyl-2-(2-naphthalen-2-yl-1H-indol-3-yl)-2-oxoacetamide?
The InChIKey is JRVWNMBDNLIHGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38N2O2/c1-3-5-7-13-21-34(22-14-8-6-4-2)32(36)31(35)29-27-17-11-12-18-28(27)33-30(29)26-20-19-24-15-9-10-16-25(24)23-26/h9-12,15-20,23,33H,3-8,13-14,21-22H2,1-2H3.
What are the key properties of N,N-dihexyl-2-(2-naphthalen-2-yl-1H-indol-3-yl)-2-oxoacetamide?
N,N-dihexyl-2-(2-naphthalen-2-yl-1H-indol-3-yl)-2-oxoacetamide has a molecular weight of 482.67 g/mol, XLogP of 8.16, 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-(2-naphthalen-2-yl-1H-indol-3-yl)-2-oxoacetamide is sourced from PubChem (CID 122183518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).