N-(2-aminophenyl)-3-(oxolan-2-ylmethoxy)benzamide

C18H20N2O3 — CID 119421992

IUPACN-(2-aminophenyl)-3-(oxolan-2-ylmethoxy)benzamide
SMILESNc1ccccc1NC(=O)c1cccc(OCC2CCCO2)c1
InChIInChI=1S/C18H20N2O3/c19-16-8-1-2-9-17(16)20-18(21)13-5-3-6-14(11-13)23-12-15-7-4-10-22-15/h1-3,5-6,8-9,11,15H,4,7,10,12,19H2,(H,20,21)
InChIKeyVELPCNAIRYDFKA-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.08
Rot. Bonds5

About N-(2-aminophenyl)-3-(oxolan-2-ylmethoxy)benzamide

N-(2-aminophenyl)-3-(oxolan-2-ylmethoxy)benzamide (PubChem CID 119421992) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-(2-aminophenyl)-3-(oxolan-2-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-3-(oxolan-2-ylmethoxy)benzamide
PubChem CID119421992
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC NameN-(2-aminophenyl)-3-(oxolan-2-ylmethoxy)benzamide
SMILESNc1ccccc1NC(=O)c1cccc(OCC2CCCO2)c1
InChIInChI=1S/C18H20N2O3/c19-16-8-1-2-9-17(16)20-18(21)13-5-3-6-14(11-13)23-12-15-7-4-10-22-15/h1-3,5-6,8-9,11,15H,4,7,10,12,19H2,(H,20,21)
InChIKeyVELPCNAIRYDFKA-UHFFFAOYSA-N
XLogP3.08
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-ethylphenyl)-3-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 30798336
N-(6-amino-1,3-benzodioxol-5-yl)-3-(oxolan-2-ylmethoxy)benzamide
CID 119618105
3-(oxolan-2-ylmethoxy)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide
CID 46518741
3-fluoro-4-methyl-5-[[3-(oxolan-2-ylmethoxy)benzoyl]amino]benzamide
CID 78881332
3-(oxolan-2-ylmethoxy)-N-[2-(1,2,4-triazol-1-yl)phenyl]benzamide
CID 134004359
N-[3-(oxolan-2-ylmethoxy)phenyl]-3-(2-phenoxyethoxy)benzamide
CID 17141902
N-(3,5-dichlorophenyl)-3-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 33498591
N-[3-chloro-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]-3-(2-phenoxyethoxy)benzamide
CID 42427203
methyl 3-[[3-[[(2R)-oxolan-2-yl]methoxy]benzoyl]amino]benzoate
CID 25496492
N-(3-hydroxy-2-pyridinyl)-3-(oxolan-2-ylmethoxy)benzamide
CID 42939966
N-(3-hydroxy-2-pyridinyl)-3-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 30469054
3-acetamido-N-[3-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 46802911

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-3-(oxolan-2-ylmethoxy)benzamide?
The IUPAC name of N-(2-aminophenyl)-3-(oxolan-2-ylmethoxy)benzamide (CID 119421992) is N-(2-aminophenyl)-3-(oxolan-2-ylmethoxy)benzamide.
What is the SMILES notation for N-(2-aminophenyl)-3-(oxolan-2-ylmethoxy)benzamide?
The canonical SMILES for N-(2-aminophenyl)-3-(oxolan-2-ylmethoxy)benzamide is Nc1ccccc1NC(=O)c1cccc(OCC2CCCO2)c1.
What is the InChIKey of N-(2-aminophenyl)-3-(oxolan-2-ylmethoxy)benzamide?
The InChIKey is VELPCNAIRYDFKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c19-16-8-1-2-9-17(16)20-18(21)13-5-3-6-14(11-13)23-12-15-7-4-10-22-15/h1-3,5-6,8-9,11,15H,4,7,10,12,19H2,(H,20,21).
What are the key properties of N-(2-aminophenyl)-3-(oxolan-2-ylmethoxy)benzamide?
N-(2-aminophenyl)-3-(oxolan-2-ylmethoxy)benzamide has a molecular weight of 312.37 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-3-(oxolan-2-ylmethoxy)benzamide is sourced from PubChem (CID 119421992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).