N-benzyl-N-ethyl-2-(2-naphthalen-2-yl-1H-indol-3-yl)-2-oxoacetamide

C29H24N2O2 — CID 122183522

IUPACN-benzyl-N-ethyl-2-(2-naphthalen-2-yl-1H-indol-3-yl)-2-oxoacetamide
SMILESCCN(Cc1ccccc1)C(=O)C(=O)c1c(-c2ccc3ccccc3c2)[nH]c2ccccc12
InChIInChI=1S/C29H24N2O2/c1-2-31(19-20-10-4-3-5-11-20)29(33)28(32)26-24-14-8-9-15-25(24)30-27(26)23-17-16-21-12-6-7-13-22(21)18-23/h3-18,30H,2,19H2,1H3
InChIKeyVMQJAXRKVKZTFS-UHFFFAOYSA-N
MW432.52 g/mol
LogP6.22
Rot. Bonds6

About N-benzyl-N-ethyl-2-(2-naphthalen-2-yl-1H-indol-3-yl)-2-oxoacetamide

N-benzyl-N-ethyl-2-(2-naphthalen-2-yl-1H-indol-3-yl)-2-oxoacetamide (PubChem CID 122183522) has the molecular formula C29H24N2O2 and a molecular weight of 432.52 g/mol. Its IUPAC name is N-benzyl-N-ethyl-2-(2-naphthalen-2-yl-1H-indol-3-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-2-(2-naphthalen-2-yl-1H-indol-3-yl)-2-oxoacetamide
PubChem CID122183522
Molecular FormulaC29H24N2O2
Molecular Weight432.52 g/mol
Exact Mass432.18
IUPAC NameN-benzyl-N-ethyl-2-(2-naphthalen-2-yl-1H-indol-3-yl)-2-oxoacetamide
SMILESCCN(Cc1ccccc1)C(=O)C(=O)c1c(-c2ccc3ccccc3c2)[nH]c2ccccc12
InChIInChI=1S/C29H24N2O2/c1-2-31(19-20-10-4-3-5-11-20)29(33)28(32)26-24-14-8-9-15-25(24)30-27(26)23-17-16-21-12-6-7-13-22(21)18-23/h3-18,30H,2,19H2,1H3
InChIKeyVMQJAXRKVKZTFS-UHFFFAOYSA-N
XLogP6.22
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.52
LogP ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-benzyl-N-ethyl-2-(2-naphthalen-2-yl-1H-indol-3-yl)-2-oxoacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 4273754
CID 4273754
CID 10360860
CID 10360860
CID 8581
CID 8581
CID 99652
CID 99652
CID 2176767
CID 2176767
CID 45268707
CID 45268707
CID 61305
CID 61305
CID 25209788
CID 25209788
CID 118796466
CID 118796466
CID 3149447
CID 3149447
CID 45267820
CID 45267820
CID 45272121
CID 45272121

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-2-(2-naphthalen-2-yl-1H-indol-3-yl)-2-oxoacetamide?
The IUPAC name of N-benzyl-N-ethyl-2-(2-naphthalen-2-yl-1H-indol-3-yl)-2-oxoacetamide (CID 122183522) is N-benzyl-N-ethyl-2-(2-naphthalen-2-yl-1H-indol-3-yl)-2-oxoacetamide.
What is the SMILES notation for N-benzyl-N-ethyl-2-(2-naphthalen-2-yl-1H-indol-3-yl)-2-oxoacetamide?
The canonical SMILES for N-benzyl-N-ethyl-2-(2-naphthalen-2-yl-1H-indol-3-yl)-2-oxoacetamide is CCN(Cc1ccccc1)C(=O)C(=O)c1c(-c2ccc3ccccc3c2)[nH]c2ccccc12.
What is the InChIKey of N-benzyl-N-ethyl-2-(2-naphthalen-2-yl-1H-indol-3-yl)-2-oxoacetamide?
The InChIKey is VMQJAXRKVKZTFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24N2O2/c1-2-31(19-20-10-4-3-5-11-20)29(33)28(32)26-24-14-8-9-15-25(24)30-27(26)23-17-16-21-12-6-7-13-22(21)18-23/h3-18,30H,2,19H2,1H3.
What are the key properties of N-benzyl-N-ethyl-2-(2-naphthalen-2-yl-1H-indol-3-yl)-2-oxoacetamide?
N-benzyl-N-ethyl-2-(2-naphthalen-2-yl-1H-indol-3-yl)-2-oxoacetamide has a molecular weight of 432.52 g/mol, XLogP of 6.22, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-2-(2-naphthalen-2-yl-1H-indol-3-yl)-2-oxoacetamide is sourced from PubChem (CID 122183522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).