N'-(2,5-dimethylphenyl)-N-(2-hydroxy-3-methylpentyl)oxamide

C16H24N2O3 — CID 111121500

IUPACN'-(2,5-dimethylphenyl)-N-(2-hydroxy-3-methylpentyl)oxamide
SMILESCCC(C)C(O)CNC(=O)C(=O)Nc1cc(C)ccc1C
InChIInChI=1S/C16H24N2O3/c1-5-11(3)14(19)9-17-15(20)16(21)18-13-8-10(2)6-7-12(13)4/h6-8,11,14,19H,5,9H2,1-4H3,(H,17,20)(H,18,21)
InChIKeyTYKAHISHQLVYBZ-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.77
Rot. Bonds5

About N'-(2,5-dimethylphenyl)-N-(2-hydroxy-3-methylpentyl)oxamide

N'-(2,5-dimethylphenyl)-N-(2-hydroxy-3-methylpentyl)oxamide (PubChem CID 111121500) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is N'-(2,5-dimethylphenyl)-N-(2-hydroxy-3-methylpentyl)oxamide.

Molecular Properties

Compound NameN'-(2,5-dimethylphenyl)-N-(2-hydroxy-3-methylpentyl)oxamide
PubChem CID111121500
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC NameN'-(2,5-dimethylphenyl)-N-(2-hydroxy-3-methylpentyl)oxamide
SMILESCCC(C)C(O)CNC(=O)C(=O)Nc1cc(C)ccc1C
InChIInChI=1S/C16H24N2O3/c1-5-11(3)14(19)9-17-15(20)16(21)18-13-8-10(2)6-7-12(13)4/h6-8,11,14,19H,5,9H2,1-4H3,(H,17,20)(H,18,21)
InChIKeyTYKAHISHQLVYBZ-UHFFFAOYSA-N
XLogP1.77
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.77
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-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N'-(2,5-dimethylphenyl)oxamide
CID 90613591
N'-(2,4-difluorophenyl)-N-(2-hydroxy-3-methylpentyl)oxamide
CID 111121478
N-(2-hydroxy-3-methylpentyl)-N'-(2-propan-2-ylphenyl)oxamide
CID 111121495
N'-(2,4-dimethylphenyl)-N-[(2S)-2-hydroxypropyl]oxamide
CID 7033220
N-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]-N'-(2,5-dimethylphenyl)oxamide
CID 90581652
N'-(2,5-dimethylphenyl)-N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]oxamide
CID 90582021
N-[(2S)-2-(2-chlorophenyl)-2-hydroxyethyl]-N'-(2,5-dimethylphenyl)oxamide
CID 95775664
N-(2,5-dimethylphenyl)-N'-(4-hydroxy-3-methylbutan-2-yl)oxamide
CID 111798967
N'-(2,5-dimethylphenyl)-N-(3-methoxypropyl)oxamide
CID 6618309
N-[2-(2-chlorophenyl)-2-methoxyethyl]-N'-(2,5-dimethylphenyl)oxamide
CID 90623953
N'-(5-chloro-2-methylphenyl)-N-(2-methylpropyl)oxamide
CID 2218014
N'-(2,5-dimethylphenyl)-N-(4-methylphenyl)oxamide
CID 44995959

Frequently Asked Questions

What is the IUPAC name of N'-(2,5-dimethylphenyl)-N-(2-hydroxy-3-methylpentyl)oxamide?
The IUPAC name of N'-(2,5-dimethylphenyl)-N-(2-hydroxy-3-methylpentyl)oxamide (CID 111121500) is N'-(2,5-dimethylphenyl)-N-(2-hydroxy-3-methylpentyl)oxamide.
What is the SMILES notation for N'-(2,5-dimethylphenyl)-N-(2-hydroxy-3-methylpentyl)oxamide?
The canonical SMILES for N'-(2,5-dimethylphenyl)-N-(2-hydroxy-3-methylpentyl)oxamide is CCC(C)C(O)CNC(=O)C(=O)Nc1cc(C)ccc1C.
What is the InChIKey of N'-(2,5-dimethylphenyl)-N-(2-hydroxy-3-methylpentyl)oxamide?
The InChIKey is TYKAHISHQLVYBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-5-11(3)14(19)9-17-15(20)16(21)18-13-8-10(2)6-7-12(13)4/h6-8,11,14,19H,5,9H2,1-4H3,(H,17,20)(H,18,21).
What are the key properties of N'-(2,5-dimethylphenyl)-N-(2-hydroxy-3-methylpentyl)oxamide?
N'-(2,5-dimethylphenyl)-N-(2-hydroxy-3-methylpentyl)oxamide has a molecular weight of 292.38 g/mol, XLogP of 1.77, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,5-dimethylphenyl)-N-(2-hydroxy-3-methylpentyl)oxamide is sourced from PubChem (CID 111121500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).