N'-(3-chloro-2,6-diethylphenyl)-N-(3-hydroxy-2-methylpropyl)oxamide

C16H23ClN2O3 — CID 47669715

IUPACN'-(3-chloro-2,6-diethylphenyl)-N-(3-hydroxy-2-methylpropyl)oxamide
SMILESCCc1ccc(Cl)c(CC)c1NC(=O)C(=O)NCC(C)CO
InChIInChI=1S/C16H23ClN2O3/c1-4-11-6-7-13(17)12(5-2)14(11)19-16(22)15(21)18-8-10(3)9-20/h6-7,10,20H,4-5,8-9H2,1-3H3,(H,18,21)(H,19,22)
InChIKeyCLHWGRBZRQOXFN-UHFFFAOYSA-N
MW326.82 g/mol
LogP2.15
Rot. Bonds6

About N'-(3-chloro-2,6-diethylphenyl)-N-(3-hydroxy-2-methylpropyl)oxamide

N'-(3-chloro-2,6-diethylphenyl)-N-(3-hydroxy-2-methylpropyl)oxamide (PubChem CID 47669715) has the molecular formula C16H23ClN2O3 and a molecular weight of 326.82 g/mol. Its IUPAC name is N'-(3-chloro-2,6-diethylphenyl)-N-(3-hydroxy-2-methylpropyl)oxamide.

Molecular Properties

Compound NameN'-(3-chloro-2,6-diethylphenyl)-N-(3-hydroxy-2-methylpropyl)oxamide
PubChem CID47669715
Molecular FormulaC16H23ClN2O3
Molecular Weight326.82 g/mol
Exact Mass326.14
IUPAC NameN'-(3-chloro-2,6-diethylphenyl)-N-(3-hydroxy-2-methylpropyl)oxamide
SMILESCCc1ccc(Cl)c(CC)c1NC(=O)C(=O)NCC(C)CO
InChIInChI=1S/C16H23ClN2O3/c1-4-11-6-7-13(17)12(5-2)14(11)19-16(22)15(21)18-8-10(3)9-20/h6-7,10,20H,4-5,8-9H2,1-3H3,(H,18,21)(H,19,22)
InChIKeyCLHWGRBZRQOXFN-UHFFFAOYSA-N
XLogP2.15
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.82
LogP ≤ 52.15
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'-(2,6-diethylphenyl)-N-(3-hydroxy-2-methylpropyl)oxamide
CID 47669792
1-(3-chloro-2,6-diethylphenyl)-3-(1-hydroxypropan-2-yl)urea
CID 110890756
1-(3-chloro-2,6-diethylphenyl)-3-propylurea
CID 47108166
2-bromo-N-(3-chloro-2,6-diethylphenyl)butanamide
CID 62855747
N'-(3-chloro-2-fluorophenyl)-N-(3-hydroxy-2-methylpropyl)oxamide
CID 47669560
1-(3-chloro-2,6-diethylphenyl)-3-[(2S)-2-hydroxy-3-methoxypropyl]urea
CID 95771319
3-acetamido-N-(3-chloro-2,6-diethylphenyl)propanamide
CID 29298588
3-(3-chloro-2,6-diethylphenyl)-1-(2-hydroxyethyl)-1-(3-hydroxypropyl)urea
CID 111578885
1-chloro-3-(3-chloro-2,6-diethylanilino)propan-2-ol
CID 168640686
2-[(3-chloro-2,6-diethylphenyl)carbamoyl-methylamino]-N-propan-2-ylacetamide
CID 56812801
1-(3-chloro-2,6-diethylphenyl)-3-[(2S)-2-hydroxy-2-(2-methoxyphenyl)ethyl]urea
CID 51944969
3-acetamido-N-(3-chloro-2,6-diethylphenyl)-3-(4-methylphenyl)propanamide
CID 51310542

Frequently Asked Questions

What is the IUPAC name of N'-(3-chloro-2,6-diethylphenyl)-N-(3-hydroxy-2-methylpropyl)oxamide?
The IUPAC name of N'-(3-chloro-2,6-diethylphenyl)-N-(3-hydroxy-2-methylpropyl)oxamide (CID 47669715) is N'-(3-chloro-2,6-diethylphenyl)-N-(3-hydroxy-2-methylpropyl)oxamide.
What is the SMILES notation for N'-(3-chloro-2,6-diethylphenyl)-N-(3-hydroxy-2-methylpropyl)oxamide?
The canonical SMILES for N'-(3-chloro-2,6-diethylphenyl)-N-(3-hydroxy-2-methylpropyl)oxamide is CCc1ccc(Cl)c(CC)c1NC(=O)C(=O)NCC(C)CO.
What is the InChIKey of N'-(3-chloro-2,6-diethylphenyl)-N-(3-hydroxy-2-methylpropyl)oxamide?
The InChIKey is CLHWGRBZRQOXFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O3/c1-4-11-6-7-13(17)12(5-2)14(11)19-16(22)15(21)18-8-10(3)9-20/h6-7,10,20H,4-5,8-9H2,1-3H3,(H,18,21)(H,19,22).
What are the key properties of N'-(3-chloro-2,6-diethylphenyl)-N-(3-hydroxy-2-methylpropyl)oxamide?
N'-(3-chloro-2,6-diethylphenyl)-N-(3-hydroxy-2-methylpropyl)oxamide has a molecular weight of 326.82 g/mol, XLogP of 2.15, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chloro-2,6-diethylphenyl)-N-(3-hydroxy-2-methylpropyl)oxamide is sourced from PubChem (CID 47669715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).