2-(1-dodecylindol-3-yl)-2-oxoacetamide

C22H32N2O2 — CID 174644392

IUPAC2-(1-dodecylindol-3-yl)-2-oxoacetamide
SMILESCCCCCCCCCCCCn1cc(C(=O)C(N)=O)c2ccccc21
InChIInChI=1S/C22H32N2O2/c1-2-3-4-5-6-7-8-9-10-13-16-24-17-19(21(25)22(23)26)18-14-11-12-15-20(18)24/h11-12,14-15,17H,2-10,13,16H2,1H3,(H2,23,26)
InChIKeyJHRFFRMMRXYFHF-UHFFFAOYSA-N
MW356.51 g/mol
LogP5.23
Rot. Bonds13

About 2-(1-dodecylindol-3-yl)-2-oxoacetamide

2-(1-dodecylindol-3-yl)-2-oxoacetamide (PubChem CID 174644392) has the molecular formula C22H32N2O2 and a molecular weight of 356.51 g/mol. Its IUPAC name is 2-(1-dodecylindol-3-yl)-2-oxoacetamide.

Molecular Properties

Compound Name2-(1-dodecylindol-3-yl)-2-oxoacetamide
PubChem CID174644392
Molecular FormulaC22H32N2O2
Molecular Weight356.51 g/mol
Exact Mass356.25
IUPAC Name2-(1-dodecylindol-3-yl)-2-oxoacetamide
SMILESCCCCCCCCCCCCn1cc(C(=O)C(N)=O)c2ccccc21
InChIInChI=1S/C22H32N2O2/c1-2-3-4-5-6-7-8-9-10-13-16-24-17-19(21(25)22(23)26)18-14-11-12-15-20(18)24/h11-12,14-15,17H,2-10,13,16H2,1H3,(H2,23,26)
InChIKeyJHRFFRMMRXYFHF-UHFFFAOYSA-N
XLogP5.23
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.51
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(1-dodecylindol-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

2-[1-(2-hydroxyethyl)indol-3-yl]-2-oxoacetamide
CID 20976467
2-[5-(3-methylphenyl)-1-octylindol-3-yl]-2-oxoacetamide
CID 118283201
4-(3-tridecanoylindol-1-yl)butanoic acid
CID 22400493
(1-decylindol-3-yl)-(4-iodophenyl)methanone
CID 170857204
(4-methylphenyl)-(1-pentylindol-3-yl)methanone
CID 170857148
2-(1-methylindol-3-yl)-2-oxoacetamide
CID 594179
ethyl 1-hexyl-4-sulfanylidenequinoline-3-carboxylate
CID 129111778
ethyl 4-(3-dodecanoylindol-1-yl)butanoate
CID 22400499
ethyl 4-(3-tridecanoylindol-1-yl)butanoate
CID 22400496
(1-decylindol-3-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 170857208
6-bromo-1-(1-butylindol-3-yl)hexan-1-one
CID 54167344
3-(1-naphthalen-1-ylethenyl)-1-pentylindole
CID 144557582

Frequently Asked Questions

What is the IUPAC name of 2-(1-dodecylindol-3-yl)-2-oxoacetamide?
The IUPAC name of 2-(1-dodecylindol-3-yl)-2-oxoacetamide (CID 174644392) is 2-(1-dodecylindol-3-yl)-2-oxoacetamide.
What is the SMILES notation for 2-(1-dodecylindol-3-yl)-2-oxoacetamide?
The canonical SMILES for 2-(1-dodecylindol-3-yl)-2-oxoacetamide is CCCCCCCCCCCCn1cc(C(=O)C(N)=O)c2ccccc21.
What is the InChIKey of 2-(1-dodecylindol-3-yl)-2-oxoacetamide?
The InChIKey is JHRFFRMMRXYFHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O2/c1-2-3-4-5-6-7-8-9-10-13-16-24-17-19(21(25)22(23)26)18-14-11-12-15-20(18)24/h11-12,14-15,17H,2-10,13,16H2,1H3,(H2,23,26).
What are the key properties of 2-(1-dodecylindol-3-yl)-2-oxoacetamide?
2-(1-dodecylindol-3-yl)-2-oxoacetamide has a molecular weight of 356.51 g/mol, XLogP of 5.23, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-dodecylindol-3-yl)-2-oxoacetamide is sourced from PubChem (CID 174644392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).