N-(3-ethoxypropyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide

C16H23NO2 — CID 95903042

IUPACN-(3-ethoxypropyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESCCOCCCNC(=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C16H23NO2/c1-2-19-11-5-10-17-16(18)15-9-8-13-6-3-4-7-14(13)12-15/h8-9,12H,2-7,10-11H2,1H3,(H,17,18)
InChIKeyJQYYWKFSOUUDOO-UHFFFAOYSA-N
MW261.36 g/mol
LogP2.72
Rot. Bonds6

About N-(3-ethoxypropyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide

N-(3-ethoxypropyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide (PubChem CID 95903042) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
PubChem CID95903042
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC NameN-(3-ethoxypropyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESCCOCCCNC(=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C16H23NO2/c1-2-19-11-5-10-17-16(18)15-9-8-13-6-3-4-7-14(13)12-15/h8-9,12H,2-7,10-11H2,1H3,(H,17,18)
InChIKeyJQYYWKFSOUUDOO-UHFFFAOYSA-N
XLogP2.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-hydroxyethoxy)ethyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 55024103
N-(4-bromopentyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 106130885
N-(5-hydroxy-4-methylpentyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 103861739
N-(2-methylsulfonylethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 60545524
4-bromo-N-(3-ethoxypropyl)-3-hydroxybenzamide
CID 103830425
N-(3-pyrrolidin-1-ylpropyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 95166108
N-(4-amino-4-sulfanylidenebutyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 55102214
N-(2-aminoethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide;hydrochloride
CID 119382194
3-(2,3-dihydro-1H-indene-5-carbonylamino)propanoic acid
CID 18071901
4-amino-3-(2-amino-2-oxoethoxy)-N-(3-ethoxypropyl)benzamide
CID 82069692
N-(3-ethoxypropyl)-3-fluoro-4-methoxybenzamide
CID 99610658
N-[3-(3-methylphenyl)propyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 84533264

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The IUPAC name of N-(3-ethoxypropyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide (CID 95903042) is N-(3-ethoxypropyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide.
What is the SMILES notation for N-(3-ethoxypropyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The canonical SMILES for N-(3-ethoxypropyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide is CCOCCCNC(=O)c1ccc2c(c1)CCCC2.
What is the InChIKey of N-(3-ethoxypropyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The InChIKey is JQYYWKFSOUUDOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-2-19-11-5-10-17-16(18)15-9-8-13-6-3-4-7-14(13)12-15/h8-9,12H,2-7,10-11H2,1H3,(H,17,18).
What are the key properties of N-(3-ethoxypropyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
N-(3-ethoxypropyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide has a molecular weight of 261.36 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 95903042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).