N-(3-hydroxy-4-methoxybutyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide

C16H23NO3 — CID 106242608

IUPACN-(3-hydroxy-4-methoxybutyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
SMILESCOCC(O)CCNC(=O)C1CCc2ccccc2C1
InChIInChI=1S/C16H23NO3/c1-20-11-15(18)8-9-17-16(19)14-7-6-12-4-2-3-5-13(12)10-14/h2-5,14-15,18H,6-11H2,1H3,(H,17,19)
InChIKeyFEFWOUHHILZOSE-UHFFFAOYSA-N
MW277.36 g/mol
LogP1.31
Rot. Bonds6

About N-(3-hydroxy-4-methoxybutyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide

N-(3-hydroxy-4-methoxybutyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide (PubChem CID 106242608) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is N-(3-hydroxy-4-methoxybutyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-4-methoxybutyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
PubChem CID106242608
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC NameN-(3-hydroxy-4-methoxybutyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
SMILESCOCC(O)CCNC(=O)C1CCc2ccccc2C1
InChIInChI=1S/C16H23NO3/c1-20-11-15(18)8-9-17-16(19)14-7-6-12-4-2-3-5-13(12)10-14/h2-5,14-15,18H,6-11H2,1H3,(H,17,19)
InChIKeyFEFWOUHHILZOSE-UHFFFAOYSA-N
XLogP1.31
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloropentyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107127772
(3R)-N-(3-hydroxy-4-methoxybutyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 106247547
N-(3-bromo-4-methoxybutyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106244912
N-(3-amino-4-methoxybutyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106243560
N-[2-(2-hydroxypropylamino)ethyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107127313
N-(4,4-diethoxybutyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 66937672
N-(1-bromo-3-methoxypropan-2-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 114155231
N-[3-(2-chloroethoxy)propyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 106306525
N-(2-cyanoethyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107126680
ethane;N-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 143214414
N-(6-iodohexyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107848051
N-(3-hydroxy-4-methoxybutyl)cyclohex-3-ene-1-carboxamide
CID 103876947

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-4-methoxybutyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The IUPAC name of N-(3-hydroxy-4-methoxybutyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide (CID 106242608) is N-(3-hydroxy-4-methoxybutyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide.
What is the SMILES notation for N-(3-hydroxy-4-methoxybutyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The canonical SMILES for N-(3-hydroxy-4-methoxybutyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide is COCC(O)CCNC(=O)C1CCc2ccccc2C1.
What is the InChIKey of N-(3-hydroxy-4-methoxybutyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The InChIKey is FEFWOUHHILZOSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-20-11-15(18)8-9-17-16(19)14-7-6-12-4-2-3-5-13(12)10-14/h2-5,14-15,18H,6-11H2,1H3,(H,17,19).
What are the key properties of N-(3-hydroxy-4-methoxybutyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
N-(3-hydroxy-4-methoxybutyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide has a molecular weight of 277.36 g/mol, XLogP of 1.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-4-methoxybutyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 106242608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).