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

C28H30N2O2 — CID 122183517

IUPACN,N-dibutyl-2-(2-naphthalen-2-yl-1H-indol-3-yl)-2-oxoacetamide
SMILESCCCCN(CCCC)C(=O)C(=O)c1c(-c2ccc3ccccc3c2)[nH]c2ccccc12
InChIInChI=1S/C28H30N2O2/c1-3-5-17-30(18-6-4-2)28(32)27(31)25-23-13-9-10-14-24(23)29-26(25)22-16-15-20-11-7-8-12-21(20)19-22/h7-16,19,29H,3-6,17-18H2,1-2H3
InChIKeyPFYXSRRZUZAJMC-UHFFFAOYSA-N
MW426.56 g/mol
LogP6.60
Rot. Bonds9

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

N,N-dibutyl-2-(2-naphthalen-2-yl-1H-indol-3-yl)-2-oxoacetamide (PubChem CID 122183517) has the molecular formula C28H30N2O2 and a molecular weight of 426.56 g/mol. Its IUPAC name is N,N-dibutyl-2-(2-naphthalen-2-yl-1H-indol-3-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN,N-dibutyl-2-(2-naphthalen-2-yl-1H-indol-3-yl)-2-oxoacetamide
PubChem CID122183517
Molecular FormulaC28H30N2O2
Molecular Weight426.56 g/mol
Exact Mass426.23
IUPAC NameN,N-dibutyl-2-(2-naphthalen-2-yl-1H-indol-3-yl)-2-oxoacetamide
SMILESCCCCN(CCCC)C(=O)C(=O)c1c(-c2ccc3ccccc3c2)[nH]c2ccccc12
InChIInChI=1S/C28H30N2O2/c1-3-5-17-30(18-6-4-2)28(32)27(31)25-23-13-9-10-14-24(23)29-26(25)22-16-15-20-11-7-8-12-21(20)19-22/h7-16,19,29H,3-6,17-18H2,1-2H3
InChIKeyPFYXSRRZUZAJMC-UHFFFAOYSA-N
XLogP6.60
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.56
LogP ≤ 56.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-2-(2-naphthalen-2-yl-1H-indol-3-yl)-2-oxoacetamide?
The IUPAC name of N,N-dibutyl-2-(2-naphthalen-2-yl-1H-indol-3-yl)-2-oxoacetamide (CID 122183517) is N,N-dibutyl-2-(2-naphthalen-2-yl-1H-indol-3-yl)-2-oxoacetamide.
What is the SMILES notation for N,N-dibutyl-2-(2-naphthalen-2-yl-1H-indol-3-yl)-2-oxoacetamide?
The canonical SMILES for N,N-dibutyl-2-(2-naphthalen-2-yl-1H-indol-3-yl)-2-oxoacetamide is CCCCN(CCCC)C(=O)C(=O)c1c(-c2ccc3ccccc3c2)[nH]c2ccccc12.
What is the InChIKey of N,N-dibutyl-2-(2-naphthalen-2-yl-1H-indol-3-yl)-2-oxoacetamide?
The InChIKey is PFYXSRRZUZAJMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N2O2/c1-3-5-17-30(18-6-4-2)28(32)27(31)25-23-13-9-10-14-24(23)29-26(25)22-16-15-20-11-7-8-12-21(20)19-22/h7-16,19,29H,3-6,17-18H2,1-2H3.
What are the key properties of N,N-dibutyl-2-(2-naphthalen-2-yl-1H-indol-3-yl)-2-oxoacetamide?
N,N-dibutyl-2-(2-naphthalen-2-yl-1H-indol-3-yl)-2-oxoacetamide has a molecular weight of 426.56 g/mol, XLogP of 6.60, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-2-(2-naphthalen-2-yl-1H-indol-3-yl)-2-oxoacetamide is sourced from PubChem (CID 122183517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).