N'-(1-hydroxypentan-3-yl)-N-naphthalen-2-yloxamide

C17H20N2O3 — CID 111799046

IUPACN'-(1-hydroxypentan-3-yl)-N-naphthalen-2-yloxamide
SMILESCCC(CCO)NC(=O)C(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C17H20N2O3/c1-2-14(9-10-20)18-16(21)17(22)19-15-8-7-12-5-3-4-6-13(12)11-15/h3-8,11,14,20H,2,9-10H2,1H3,(H,18,21)(H,19,22)
InChIKeyRRNGEDRDOGENFJ-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.06
Rot. Bonds5

About N'-(1-hydroxypentan-3-yl)-N-naphthalen-2-yloxamide

N'-(1-hydroxypentan-3-yl)-N-naphthalen-2-yloxamide (PubChem CID 111799046) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is N'-(1-hydroxypentan-3-yl)-N-naphthalen-2-yloxamide.

Molecular Properties

Compound NameN'-(1-hydroxypentan-3-yl)-N-naphthalen-2-yloxamide
PubChem CID111799046
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC NameN'-(1-hydroxypentan-3-yl)-N-naphthalen-2-yloxamide
SMILESCCC(CCO)NC(=O)C(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C17H20N2O3/c1-2-14(9-10-20)18-16(21)17(22)19-15-8-7-12-5-3-4-6-13(12)11-15/h3-8,11,14,20H,2,9-10H2,1H3,(H,18,21)(H,19,22)
InChIKeyRRNGEDRDOGENFJ-UHFFFAOYSA-N
XLogP2.06
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.06
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-ethylphenyl)-N-naphthalen-2-yloxamide
CID 108528326
4-hydroxy-N-naphthalen-2-yl-2-(propylamino)butanamide
CID 174896896
N-(2-benzylphenyl)-N'-(1-hydroxypentan-3-yl)oxamide
CID 111799039
N-(3,4-dichlorophenyl)-N'-(1-hydroxybutan-2-yl)oxamide
CID 47224716
N-(5-chloro-2-fluorophenyl)-N'-(1-hydroxypentan-3-yl)oxamide
CID 111799040
N'-[(2S)-1-hydroxybutan-2-yl]-N-(4-propan-2-ylphenyl)oxamide
CID 51471886
N-(3-ethylphenyl)-N'-(1-hydroxybutan-2-yl)oxamide
CID 47224753
1-(1-ethylindol-6-yl)-3-(1-hydroxypentan-3-yl)urea
CID 111474945
N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-naphthalen-2-yloxamide
CID 108510137
2-[(naphthalen-2-ylcarbamoylamino)methyl]butanoic acid
CID 65222360
1-(3-benzoylphenyl)-3-(1-hydroxypentan-3-yl)urea
CID 111453499
(2S)-N-naphthalen-2-yl-2-naphthalen-2-yloxybutanamide
CID 99942620

Frequently Asked Questions

What is the IUPAC name of N'-(1-hydroxypentan-3-yl)-N-naphthalen-2-yloxamide?
The IUPAC name of N'-(1-hydroxypentan-3-yl)-N-naphthalen-2-yloxamide (CID 111799046) is N'-(1-hydroxypentan-3-yl)-N-naphthalen-2-yloxamide.
What is the SMILES notation for N'-(1-hydroxypentan-3-yl)-N-naphthalen-2-yloxamide?
The canonical SMILES for N'-(1-hydroxypentan-3-yl)-N-naphthalen-2-yloxamide is CCC(CCO)NC(=O)C(=O)Nc1ccc2ccccc2c1.
What is the InChIKey of N'-(1-hydroxypentan-3-yl)-N-naphthalen-2-yloxamide?
The InChIKey is RRNGEDRDOGENFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-2-14(9-10-20)18-16(21)17(22)19-15-8-7-12-5-3-4-6-13(12)11-15/h3-8,11,14,20H,2,9-10H2,1H3,(H,18,21)(H,19,22).
What are the key properties of N'-(1-hydroxypentan-3-yl)-N-naphthalen-2-yloxamide?
N'-(1-hydroxypentan-3-yl)-N-naphthalen-2-yloxamide has a molecular weight of 300.36 g/mol, XLogP of 2.06, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-hydroxypentan-3-yl)-N-naphthalen-2-yloxamide is sourced from PubChem (CID 111799046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).