N-(3-hydroxy-2,2,4-trimethylpentyl)-N'-naphthalen-2-yloxamide

C20H26N2O3 — CID 109389475

IUPACN-(3-hydroxy-2,2,4-trimethylpentyl)-N'-naphthalen-2-yloxamide
SMILESCC(C)C(O)C(C)(C)CNC(=O)C(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C20H26N2O3/c1-13(2)17(23)20(3,4)12-21-18(24)19(25)22-16-10-9-14-7-5-6-8-15(14)11-16/h5-11,13,17,23H,12H2,1-4H3,(H,21,24)(H,22,25)
InChIKeyHZUVCCRSKJARFH-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.94
Rot. Bonds5

About N-(3-hydroxy-2,2,4-trimethylpentyl)-N'-naphthalen-2-yloxamide

N-(3-hydroxy-2,2,4-trimethylpentyl)-N'-naphthalen-2-yloxamide (PubChem CID 109389475) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-(3-hydroxy-2,2,4-trimethylpentyl)-N'-naphthalen-2-yloxamide.

Molecular Properties

Compound NameN-(3-hydroxy-2,2,4-trimethylpentyl)-N'-naphthalen-2-yloxamide
PubChem CID109389475
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC NameN-(3-hydroxy-2,2,4-trimethylpentyl)-N'-naphthalen-2-yloxamide
SMILESCC(C)C(O)C(C)(C)CNC(=O)C(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C20H26N2O3/c1-13(2)17(23)20(3,4)12-21-18(24)19(25)22-16-10-9-14-7-5-6-8-15(14)11-16/h5-11,13,17,23H,12H2,1-4H3,(H,21,24)(H,22,25)
InChIKeyHZUVCCRSKJARFH-UHFFFAOYSA-N
XLogP2.94
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.94
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-(3-hydroxy-2,2,4-trimethylpentyl)-N'-phenyloxamide
CID 109380534
N'-(2,3-dihydro-1H-inden-5-yl)-N-(3-hydroxy-2,2,4-trimethylpentyl)oxamide
CID 109389453
1-(3-hydroxy-2,2,4-trimethylpentyl)-3-(4-methoxyphenyl)urea
CID 109379511
(2S)-2,4-dimethyl-N-naphthalen-2-ylpentanamide
CID 58642005
N-(2,2,3-trimethylbutyl)naphthalen-2-amine
CID 114100780
1-(3-hydroxybutyl)-3-naphthalen-2-ylurea
CID 111336742
N'-(2-ethylphenyl)-N-naphthalen-2-yloxamide
CID 108528326
N-(3-hydroxy-2,2,4-trimethylpentyl)-3-(propanoylamino)benzamide
CID 109381094
(2R)-2-amino-3-methyl-N-naphthalen-2-ylbutanamide
CID 671224
2-(carbamoylamino)-3-methyl-N-naphthalen-2-ylbutanamide
CID 4637022
1-(3-hydroxy-2,2,4-trimethylpentyl)-3-(1-phenylethyl)urea
CID 109389617
N'-(1-hydroxypentan-3-yl)-N-naphthalen-2-yloxamide
CID 111799046

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2,2,4-trimethylpentyl)-N'-naphthalen-2-yloxamide?
The IUPAC name of N-(3-hydroxy-2,2,4-trimethylpentyl)-N'-naphthalen-2-yloxamide (CID 109389475) is N-(3-hydroxy-2,2,4-trimethylpentyl)-N'-naphthalen-2-yloxamide.
What is the SMILES notation for N-(3-hydroxy-2,2,4-trimethylpentyl)-N'-naphthalen-2-yloxamide?
The canonical SMILES for N-(3-hydroxy-2,2,4-trimethylpentyl)-N'-naphthalen-2-yloxamide is CC(C)C(O)C(C)(C)CNC(=O)C(=O)Nc1ccc2ccccc2c1.
What is the InChIKey of N-(3-hydroxy-2,2,4-trimethylpentyl)-N'-naphthalen-2-yloxamide?
The InChIKey is HZUVCCRSKJARFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-13(2)17(23)20(3,4)12-21-18(24)19(25)22-16-10-9-14-7-5-6-8-15(14)11-16/h5-11,13,17,23H,12H2,1-4H3,(H,21,24)(H,22,25).
What are the key properties of N-(3-hydroxy-2,2,4-trimethylpentyl)-N'-naphthalen-2-yloxamide?
N-(3-hydroxy-2,2,4-trimethylpentyl)-N'-naphthalen-2-yloxamide has a molecular weight of 342.44 g/mol, XLogP of 2.94, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2,2,4-trimethylpentyl)-N'-naphthalen-2-yloxamide is sourced from PubChem (CID 109389475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).