2-(6-bromonaphthalen-2-yl)oxy-N-(oxan-2-yloxy)acetamide

C17H18BrNO4 — CID 60612212

IUPAC2-(6-bromonaphthalen-2-yl)oxy-N-(oxan-2-yloxy)acetamide
SMILESO=C(COc1ccc2cc(Br)ccc2c1)NOC1CCCCO1
InChIInChI=1S/C17H18BrNO4/c18-14-6-4-13-10-15(7-5-12(13)9-14)22-11-16(20)19-23-17-3-1-2-8-21-17/h4-7,9-10,17H,1-3,8,11H2,(H,19,20)
InChIKeySWWNOXCULOTYKS-UHFFFAOYSA-N
MW380.24 g/mol
LogP3.56
Rot. Bonds5

About 2-(6-bromonaphthalen-2-yl)oxy-N-(oxan-2-yloxy)acetamide

2-(6-bromonaphthalen-2-yl)oxy-N-(oxan-2-yloxy)acetamide (PubChem CID 60612212) has the molecular formula C17H18BrNO4 and a molecular weight of 380.24 g/mol. Its IUPAC name is 2-(6-bromonaphthalen-2-yl)oxy-N-(oxan-2-yloxy)acetamide.

Molecular Properties

Compound Name2-(6-bromonaphthalen-2-yl)oxy-N-(oxan-2-yloxy)acetamide
PubChem CID60612212
Molecular FormulaC17H18BrNO4
Molecular Weight380.24 g/mol
Exact Mass379.04
IUPAC Name2-(6-bromonaphthalen-2-yl)oxy-N-(oxan-2-yloxy)acetamide
SMILESO=C(COc1ccc2cc(Br)ccc2c1)NOC1CCCCO1
InChIInChI=1S/C17H18BrNO4/c18-14-6-4-13-10-15(7-5-12(13)9-14)22-11-16(20)19-23-17-3-1-2-8-21-17/h4-7,9-10,17H,1-3,8,11H2,(H,19,20)
InChIKeySWWNOXCULOTYKS-UHFFFAOYSA-N
XLogP3.56
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.24
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(6-bromonaphthalen-2-yl)oxy-N-(oxan-2-yloxy)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-methoxyphenyl)-N-[(2R)-oxan-2-yl]oxyacetamide
CID 94817277
N-[3-[[(2R)-oxan-2-yl]oxyamino]-3-oxopropyl]naphthalene-2-carboxamide
CID 95285310
N-(5-bromo-2,3-dihydro-1H-inden-1-yl)-N'-(oxan-2-yloxy)octanediamide
CID 164771797
2-(6-bromonaphthalen-2-yl)oxy-N-(3,5-dimethylphenyl)acetamide
CID 7786804
2-(6-bromonaphthalen-2-yl)oxy-N-naphthalen-2-ylacetamide
CID 7786811
N-(1,3-benzodioxol-5-yl)-2-(6-bromonaphthalen-2-yl)oxyacetamide
CID 7786798
2-(6-bromonaphthalen-2-yl)oxy-N-(2-methylpropyl)acetamide
CID 3989542
oxan-2-ylmethyl 2-(4-bromophenoxy)acetate
CID 78769379
4-bromo-3,5-dimethoxy-N-[(2R)-oxan-2-yl]oxybenzamide
CID 52829220
3-[[2-(6-bromonaphthalen-2-yl)oxyacetyl]amino]-N,N-dimethylbenzamide
CID 29464616
2-naphthalen-2-yloxy-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 874788
N-[3-(6-bromonaphthalen-2-yl)oxypropyl]cyclopentanamine
CID 63505429

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromonaphthalen-2-yl)oxy-N-(oxan-2-yloxy)acetamide?
The IUPAC name of 2-(6-bromonaphthalen-2-yl)oxy-N-(oxan-2-yloxy)acetamide (CID 60612212) is 2-(6-bromonaphthalen-2-yl)oxy-N-(oxan-2-yloxy)acetamide.
What is the SMILES notation for 2-(6-bromonaphthalen-2-yl)oxy-N-(oxan-2-yloxy)acetamide?
The canonical SMILES for 2-(6-bromonaphthalen-2-yl)oxy-N-(oxan-2-yloxy)acetamide is O=C(COc1ccc2cc(Br)ccc2c1)NOC1CCCCO1.
What is the InChIKey of 2-(6-bromonaphthalen-2-yl)oxy-N-(oxan-2-yloxy)acetamide?
The InChIKey is SWWNOXCULOTYKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO4/c18-14-6-4-13-10-15(7-5-12(13)9-14)22-11-16(20)19-23-17-3-1-2-8-21-17/h4-7,9-10,17H,1-3,8,11H2,(H,19,20).
What are the key properties of 2-(6-bromonaphthalen-2-yl)oxy-N-(oxan-2-yloxy)acetamide?
2-(6-bromonaphthalen-2-yl)oxy-N-(oxan-2-yloxy)acetamide has a molecular weight of 380.24 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromonaphthalen-2-yl)oxy-N-(oxan-2-yloxy)acetamide is sourced from PubChem (CID 60612212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).