N-[2-(2-hydroxyethyl)pentyl]-N'-naphthalen-1-yloxamide

C19H24N2O3 — CID 111491083

IUPACN-[2-(2-hydroxyethyl)pentyl]-N'-naphthalen-1-yloxamide
SMILESCCCC(CCO)CNC(=O)C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C19H24N2O3/c1-2-6-14(11-12-22)13-20-18(23)19(24)21-17-10-5-8-15-7-3-4-9-16(15)17/h3-5,7-10,14,22H,2,6,11-13H2,1H3,(H,20,23)(H,21,24)
InChIKeyBIIFFBYXDIQNDV-UHFFFAOYSA-N
MW328.41 g/mol
LogP2.69
Rot. Bonds7

About N-[2-(2-hydroxyethyl)pentyl]-N'-naphthalen-1-yloxamide

N-[2-(2-hydroxyethyl)pentyl]-N'-naphthalen-1-yloxamide (PubChem CID 111491083) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is N-[2-(2-hydroxyethyl)pentyl]-N'-naphthalen-1-yloxamide.

Molecular Properties

Compound NameN-[2-(2-hydroxyethyl)pentyl]-N'-naphthalen-1-yloxamide
PubChem CID111491083
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC NameN-[2-(2-hydroxyethyl)pentyl]-N'-naphthalen-1-yloxamide
SMILESCCCC(CCO)CNC(=O)C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C19H24N2O3/c1-2-6-14(11-12-22)13-20-18(23)19(24)21-17-10-5-8-15-7-3-4-9-16(15)17/h3-5,7-10,14,22H,2,6,11-13H2,1H3,(H,20,23)(H,21,24)
InChIKeyBIIFFBYXDIQNDV-UHFFFAOYSA-N
XLogP2.69
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.69
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-(2,2-dimethoxyethyl)-N'-naphthalen-1-yloxamide
CID 108528052
N-(3-hydroxypropyl)-N'-naphthalen-1-yloxamide
CID 3102414
2-methyl-N-naphthalen-1-ylpentanamide
CID 112762783
N-(2-ethylhexyl)-N'-(2-ethylphenyl)oxamide
CID 4656011
N-[2-(diethylamino)ethyl]-N'-naphthalen-1-yloxamide
CID 108522195
N'-naphthalen-1-yl-N-(2-propan-2-ylphenyl)oxamide
CID 108500558
N'-(2-bromophenyl)-N-(2-hydroxypentyl)oxamide
CID 111121394
N-(4-hydroxy-2-methylbutyl)-N'-(2-phenylphenyl)oxamide
CID 111490995
3-(naphthalen-1-ylcarbamoyl)but-3-enoic acid
CID 139970966
N'-(1,2-dihydroacenaphthylen-5-yl)-N-(2-hydroxypentyl)oxamide
CID 111121406
N-(4-butylphenyl)-N'-naphthalen-1-yloxamide
CID 108502463
2-ethylhexyl N-naphthalen-1-ylcarbamate
CID 15066270

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxyethyl)pentyl]-N'-naphthalen-1-yloxamide?
The IUPAC name of N-[2-(2-hydroxyethyl)pentyl]-N'-naphthalen-1-yloxamide (CID 111491083) is N-[2-(2-hydroxyethyl)pentyl]-N'-naphthalen-1-yloxamide.
What is the SMILES notation for N-[2-(2-hydroxyethyl)pentyl]-N'-naphthalen-1-yloxamide?
The canonical SMILES for N-[2-(2-hydroxyethyl)pentyl]-N'-naphthalen-1-yloxamide is CCCC(CCO)CNC(=O)C(=O)Nc1cccc2ccccc12.
What is the InChIKey of N-[2-(2-hydroxyethyl)pentyl]-N'-naphthalen-1-yloxamide?
The InChIKey is BIIFFBYXDIQNDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-2-6-14(11-12-22)13-20-18(23)19(24)21-17-10-5-8-15-7-3-4-9-16(15)17/h3-5,7-10,14,22H,2,6,11-13H2,1H3,(H,20,23)(H,21,24).
What are the key properties of N-[2-(2-hydroxyethyl)pentyl]-N'-naphthalen-1-yloxamide?
N-[2-(2-hydroxyethyl)pentyl]-N'-naphthalen-1-yloxamide has a molecular weight of 328.41 g/mol, XLogP of 2.69, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxyethyl)pentyl]-N'-naphthalen-1-yloxamide is sourced from PubChem (CID 111491083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).