N-dodecyl-N'-(2,4,6-trimethylphenyl)oxamide

C23H38N2O2 — CID 3100446

IUPACN-dodecyl-N'-(2,4,6-trimethylphenyl)oxamide
SMILESCCCCCCCCCCCCNC(=O)C(=O)Nc1c(C)cc(C)cc1C
InChIInChI=1S/C23H38N2O2/c1-5-6-7-8-9-10-11-12-13-14-15-24-22(26)23(27)25-21-19(3)16-18(2)17-20(21)4/h16-17H,5-15H2,1-4H3,(H,24,26)(H,25,27)
InChIKeyIOJIWCZYNSBQRT-UHFFFAOYSA-N
MW374.57 g/mol
LogP5.59
Rot. Bonds12

About N-dodecyl-N'-(2,4,6-trimethylphenyl)oxamide

N-dodecyl-N'-(2,4,6-trimethylphenyl)oxamide (PubChem CID 3100446) has the molecular formula C23H38N2O2 and a molecular weight of 374.57 g/mol. Its IUPAC name is N-dodecyl-N'-(2,4,6-trimethylphenyl)oxamide.

Molecular Properties

Compound NameN-dodecyl-N'-(2,4,6-trimethylphenyl)oxamide
PubChem CID3100446
Molecular FormulaC23H38N2O2
Molecular Weight374.57 g/mol
Exact Mass374.29
IUPAC NameN-dodecyl-N'-(2,4,6-trimethylphenyl)oxamide
SMILESCCCCCCCCCCCCNC(=O)C(=O)Nc1c(C)cc(C)cc1C
InChIInChI=1S/C23H38N2O2/c1-5-6-7-8-9-10-11-12-13-14-15-24-22(26)23(27)25-21-19(3)16-18(2)17-20(21)4/h16-17H,5-15H2,1-4H3,(H,24,26)(H,25,27)
InChIKeyIOJIWCZYNSBQRT-UHFFFAOYSA-N
XLogP5.59
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.57
LogP ≤ 55.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-dodecyl-N'-(2,4,6-trimethylphenyl)oxamide 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

N-(3-chloropropyl)-N'-(2,4,6-trimethylphenyl)oxamide
CID 108512188
N,N'-bis(2,4,6-trimethylphenyl)oxamide
CID 13271247
N,N'-diheptyloxamide
CID 3417538
N-pentyl-3-(2,4,6-trimethylanilino)propanamide
CID 109032138
N'-(3-chloro-4-methylphenyl)-N-dodecyloxamide
CID 124529536
N-(3-morpholin-4-ium-4-ylpropyl)-N'-(2,4,6-trimethylphenyl)oxamide
CID 7034625
N-hexadecyl-N'-[2-[[2-(hexadecylamino)-2-oxoacetyl]amino]ethyl]oxamide
CID 154464806
N'-(4-bromo-2-methylphenyl)-N-hexyloxamide
CID 47148018
N-hexyl-N'-(3,4,5-trihydroxyphenyl)oxamide
CID 18983780
4-N-pentyl-2-N-(2,4,6-trimethylphenyl)pyridine-2,4-dicarboxamide
CID 109089770
N'-(3,5-dichlorophenyl)-N-pentyloxamide
CID 4625739
N-(2-amino-2-sulfanylideneethyl)-N'-(2,4,6-trimethylphenyl)oxamide
CID 43316123

Frequently Asked Questions

What is the IUPAC name of N-dodecyl-N'-(2,4,6-trimethylphenyl)oxamide?
The IUPAC name of N-dodecyl-N'-(2,4,6-trimethylphenyl)oxamide (CID 3100446) is N-dodecyl-N'-(2,4,6-trimethylphenyl)oxamide.
What is the SMILES notation for N-dodecyl-N'-(2,4,6-trimethylphenyl)oxamide?
The canonical SMILES for N-dodecyl-N'-(2,4,6-trimethylphenyl)oxamide is CCCCCCCCCCCCNC(=O)C(=O)Nc1c(C)cc(C)cc1C.
What is the InChIKey of N-dodecyl-N'-(2,4,6-trimethylphenyl)oxamide?
The InChIKey is IOJIWCZYNSBQRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38N2O2/c1-5-6-7-8-9-10-11-12-13-14-15-24-22(26)23(27)25-21-19(3)16-18(2)17-20(21)4/h16-17H,5-15H2,1-4H3,(H,24,26)(H,25,27).
What are the key properties of N-dodecyl-N'-(2,4,6-trimethylphenyl)oxamide?
N-dodecyl-N'-(2,4,6-trimethylphenyl)oxamide has a molecular weight of 374.57 g/mol, XLogP of 5.59, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-dodecyl-N'-(2,4,6-trimethylphenyl)oxamide is sourced from PubChem (CID 3100446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).