N-(5-hydroxypentyl)-N'-(2-propan-2-ylphenyl)oxamide

C16H24N2O3 — CID 108500540

IUPACN-(5-hydroxypentyl)-N'-(2-propan-2-ylphenyl)oxamide
SMILESCC(C)c1ccccc1NC(=O)C(=O)NCCCCCO
InChIInChI=1S/C16H24N2O3/c1-12(2)13-8-4-5-9-14(13)18-16(21)15(20)17-10-6-3-7-11-19/h4-5,8-9,12,19H,3,6-7,10-11H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyZKCDUTVCBMENMD-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.03
Rot. Bonds7

About N-(5-hydroxypentyl)-N'-(2-propan-2-ylphenyl)oxamide

N-(5-hydroxypentyl)-N'-(2-propan-2-ylphenyl)oxamide (PubChem CID 108500540) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-(5-hydroxypentyl)-N'-(2-propan-2-ylphenyl)oxamide.

Molecular Properties

Compound NameN-(5-hydroxypentyl)-N'-(2-propan-2-ylphenyl)oxamide
PubChem CID108500540
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC NameN-(5-hydroxypentyl)-N'-(2-propan-2-ylphenyl)oxamide
SMILESCC(C)c1ccccc1NC(=O)C(=O)NCCCCCO
InChIInChI=1S/C16H24N2O3/c1-12(2)13-8-4-5-9-14(13)18-16(21)15(20)17-10-6-3-7-11-19/h4-5,8-9,12,19H,3,6-7,10-11H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyZKCDUTVCBMENMD-UHFFFAOYSA-N
XLogP2.03
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-hydroxyphenyl)ethyl]-N'-(2-propan-2-ylphenyl)oxamide
CID 108500407
4-(2-propan-2-ylanilino)butan-1-ol
CID 54803429
N-(6-hydroxyhexyl)-N'-phenyloxamide
CID 50850958
N'-(1-hydroxy-4-methylpentan-3-yl)-N-(2-propan-2-ylphenyl)oxamide
CID 111798693
N-(2-hydroxy-2,3-dimethylbutyl)-N'-(2-propan-2-ylphenyl)oxamide
CID 111435734
N-(2-ethyl-2-hydroxybutyl)-N'-(2-propan-2-ylphenyl)oxamide
CID 48894793
N'-naphthalen-1-yl-N-(2-propan-2-ylphenyl)oxamide
CID 108500558
N-(2-hydroxy-3-methylpentyl)-N'-(2-propan-2-ylphenyl)oxamide
CID 111121495
N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-N'-(2-propan-2-ylphenyl)oxamide
CID 108500644
N-(3-hydroxypropyl)-N'-naphthalen-1-yloxamide
CID 3102414
N'-(2-hydroxyethyl)-N'-methyl-N-(2-propan-2-ylphenyl)oxamide
CID 108500546
N-(3-hydroxypropyl)-N'-(2-propylphenyl)oxamide
CID 47224610

Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxypentyl)-N'-(2-propan-2-ylphenyl)oxamide?
The IUPAC name of N-(5-hydroxypentyl)-N'-(2-propan-2-ylphenyl)oxamide (CID 108500540) is N-(5-hydroxypentyl)-N'-(2-propan-2-ylphenyl)oxamide.
What is the SMILES notation for N-(5-hydroxypentyl)-N'-(2-propan-2-ylphenyl)oxamide?
The canonical SMILES for N-(5-hydroxypentyl)-N'-(2-propan-2-ylphenyl)oxamide is CC(C)c1ccccc1NC(=O)C(=O)NCCCCCO.
What is the InChIKey of N-(5-hydroxypentyl)-N'-(2-propan-2-ylphenyl)oxamide?
The InChIKey is ZKCDUTVCBMENMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-12(2)13-8-4-5-9-14(13)18-16(21)15(20)17-10-6-3-7-11-19/h4-5,8-9,12,19H,3,6-7,10-11H2,1-2H3,(H,17,20)(H,18,21).
What are the key properties of N-(5-hydroxypentyl)-N'-(2-propan-2-ylphenyl)oxamide?
N-(5-hydroxypentyl)-N'-(2-propan-2-ylphenyl)oxamide has a molecular weight of 292.38 g/mol, XLogP of 2.03, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxypentyl)-N'-(2-propan-2-ylphenyl)oxamide is sourced from PubChem (CID 108500540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).