N-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]oxane-4-carboxamide

C18H25NO3 — CID 113101698

IUPACN-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]oxane-4-carboxamide
SMILESO=C(NCCOc1cccc2c1CCCC2)C1CCOCC1
InChIInChI=1S/C18H25NO3/c20-18(15-8-11-21-12-9-15)19-10-13-22-17-7-3-5-14-4-1-2-6-16(14)17/h3,5,7,15H,1-2,4,6,8-13H2,(H,19,20)
InChIKeyHXIIVRIMNHILFW-UHFFFAOYSA-N
MW303.40 g/mol
LogP2.49
Rot. Bonds5

About N-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]oxane-4-carboxamide

N-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]oxane-4-carboxamide (PubChem CID 113101698) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is N-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]oxane-4-carboxamide
PubChem CID113101698
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC NameN-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]oxane-4-carboxamide
SMILESO=C(NCCOc1cccc2c1CCCC2)C1CCOCC1
InChIInChI=1S/C18H25NO3/c20-18(15-8-11-21-12-9-15)19-10-13-22-17-7-3-5-14-4-1-2-6-16(14)17/h3,5,7,15H,1-2,4,6,8-13H2,(H,19,20)
InChIKeyHXIIVRIMNHILFW-UHFFFAOYSA-N
XLogP2.49
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-aminophenoxy)ethyl]oxane-4-carboxamide
CID 62907038
1-cyclohexyl-3-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]urea
CID 112974981
4-methyl-N-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]piperidine-1-carboxamide
CID 112974982
N-[2-(2-chlorophenoxy)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide
CID 100663620
4-acetyl-N-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]piperazine-1-carboxamide
CID 112974994
N-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 112975029
N-[2-(2-methylphenoxy)ethyl]cyclobutanecarboxamide
CID 113099100
2-(3-methylphenyl)-N-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]acetamide
CID 113101689
1-(3-bromophenyl)-3-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]urea
CID 112975091
N-[2-(3-tert-butylphenoxy)ethyl]oxane-4-carboxamide
CID 113100479
1-(3-acetylphenyl)-3-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]urea
CID 112975078
1-(1,3-benzodioxol-5-ylmethyl)-3-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]urea
CID 112975008

Frequently Asked Questions

What is the IUPAC name of N-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]oxane-4-carboxamide?
The IUPAC name of N-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]oxane-4-carboxamide (CID 113101698) is N-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]oxane-4-carboxamide.
What is the SMILES notation for N-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]oxane-4-carboxamide?
The canonical SMILES for N-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]oxane-4-carboxamide is O=C(NCCOc1cccc2c1CCCC2)C1CCOCC1.
What is the InChIKey of N-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]oxane-4-carboxamide?
The InChIKey is HXIIVRIMNHILFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO3/c20-18(15-8-11-21-12-9-15)19-10-13-22-17-7-3-5-14-4-1-2-6-16(14)17/h3,5,7,15H,1-2,4,6,8-13H2,(H,19,20).
What are the key properties of N-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]oxane-4-carboxamide?
N-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]oxane-4-carboxamide has a molecular weight of 303.40 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]oxane-4-carboxamide is sourced from PubChem (CID 113101698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).