N-(4-hydroxy-2-methylpentyl)-N'-(2,4,6-trimethylphenyl)oxamide

C17H26N2O3 — CID 111456232

IUPACN-(4-hydroxy-2-methylpentyl)-N'-(2,4,6-trimethylphenyl)oxamide
SMILESCc1cc(C)c(NC(=O)C(=O)NCC(C)CC(C)O)c(C)c1
InChIInChI=1S/C17H26N2O3/c1-10-6-12(3)15(13(4)7-10)19-17(22)16(21)18-9-11(2)8-14(5)20/h6-7,11,14,20H,8-9H2,1-5H3,(H,18,21)(H,19,22)
InChIKeyQEVLHGQDXLPAEZ-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.07
Rot. Bonds5

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

N-(4-hydroxy-2-methylpentyl)-N'-(2,4,6-trimethylphenyl)oxamide (PubChem CID 111456232) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-(4-hydroxy-2-methylpentyl)-N'-(2,4,6-trimethylphenyl)oxamide.

Molecular Properties

Compound NameN-(4-hydroxy-2-methylpentyl)-N'-(2,4,6-trimethylphenyl)oxamide
PubChem CID111456232
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC NameN-(4-hydroxy-2-methylpentyl)-N'-(2,4,6-trimethylphenyl)oxamide
SMILESCc1cc(C)c(NC(=O)C(=O)NCC(C)CC(C)O)c(C)c1
InChIInChI=1S/C17H26N2O3/c1-10-6-12(3)15(13(4)7-10)19-17(22)16(21)18-9-11(2)8-14(5)20/h6-7,11,14,20H,8-9H2,1-5H3,(H,18,21)(H,19,22)
InChIKeyQEVLHGQDXLPAEZ-UHFFFAOYSA-N
XLogP2.07
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis(2,4,6-trimethylphenyl)oxamide
CID 13271247
N'-(2-fluoro-4-methylphenyl)-N-(4-hydroxy-2-methylpentyl)oxamide
CID 111456252
N'-(4-tert-butylphenyl)-N-(4-hydroxy-2-methylpentyl)oxamide
CID 111456250
N-(2-hydroxy-2-thiophen-3-ylethyl)-N'-(2,4,6-trimethylphenyl)oxamide
CID 90496666
N'-(2,4-dimethylphenyl)-N-[(2S)-2-hydroxypropyl]oxamide
CID 7033220
N-(3-chloropropyl)-N'-(2,4,6-trimethylphenyl)oxamide
CID 108512188
N-(2-amino-2-sulfanylideneethyl)-N'-(2,4,6-trimethylphenyl)oxamide
CID 43316123
N-[2-methoxy-2-(2-methylphenyl)ethyl]-N'-(2,4,6-trimethylphenyl)oxamide
CID 90598970
N-dodecyl-N'-(2,4,6-trimethylphenyl)oxamide
CID 3100446
N-(2,6-dimethylphenyl)-N'-(2,4,6-trimethylphenyl)oxamide
CID 108512317
1-(4-hydroxy-2-methylpentyl)-3-(3-methylphenyl)urea
CID 111444676
N-(4-ethylphenyl)-N'-(2,4,6-trimethylphenyl)oxamide
CID 45000406

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2-methylpentyl)-N'-(2,4,6-trimethylphenyl)oxamide?
The IUPAC name of N-(4-hydroxy-2-methylpentyl)-N'-(2,4,6-trimethylphenyl)oxamide (CID 111456232) is N-(4-hydroxy-2-methylpentyl)-N'-(2,4,6-trimethylphenyl)oxamide.
What is the SMILES notation for N-(4-hydroxy-2-methylpentyl)-N'-(2,4,6-trimethylphenyl)oxamide?
The canonical SMILES for N-(4-hydroxy-2-methylpentyl)-N'-(2,4,6-trimethylphenyl)oxamide is Cc1cc(C)c(NC(=O)C(=O)NCC(C)CC(C)O)c(C)c1.
What is the InChIKey of N-(4-hydroxy-2-methylpentyl)-N'-(2,4,6-trimethylphenyl)oxamide?
The InChIKey is QEVLHGQDXLPAEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-10-6-12(3)15(13(4)7-10)19-17(22)16(21)18-9-11(2)8-14(5)20/h6-7,11,14,20H,8-9H2,1-5H3,(H,18,21)(H,19,22).
What are the key properties of N-(4-hydroxy-2-methylpentyl)-N'-(2,4,6-trimethylphenyl)oxamide?
N-(4-hydroxy-2-methylpentyl)-N'-(2,4,6-trimethylphenyl)oxamide has a molecular weight of 306.41 g/mol, XLogP of 2.07, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2-methylpentyl)-N'-(2,4,6-trimethylphenyl)oxamide is sourced from PubChem (CID 111456232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).