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

C15H21NO2 — CID 65037202

IUPACN-(3-hydroxy-2-methylpropyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESCC(CO)CNC(=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C15H21NO2/c1-11(10-17)9-16-15(18)14-7-6-12-4-2-3-5-13(12)8-14/h6-8,11,17H,2-5,9-10H2,1H3,(H,16,18)
InChIKeyNIGAMRSXSQOTDF-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.92
Rot. Bonds4

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

N-(3-hydroxy-2-methylpropyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide (PubChem CID 65037202) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is N-(3-hydroxy-2-methylpropyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-2-methylpropyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
PubChem CID65037202
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC NameN-(3-hydroxy-2-methylpropyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESCC(CO)CNC(=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C15H21NO2/c1-11(10-17)9-16-15(18)14-7-6-12-4-2-3-5-13(12)8-14/h6-8,11,17H,2-5,9-10H2,1H3,(H,16,18)
InChIKeyNIGAMRSXSQOTDF-UHFFFAOYSA-N
XLogP1.92
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-hydroxy-4-methylpentyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 103861739
3-(2,3-dihydro-1H-indene-5-carbonylamino)-2-methylpropanoic acid
CID 55105106
N-(2-phenylpropyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 85007437
N-[2-oxo-2-(propan-2-ylamino)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 9300971
N-[2-(2-hydroxyethyl)pentyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 103722801
N-[(2S)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 51943526
N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 51953782
(2S)-3-(2,3-dihydro-1H-indene-5-carbonylamino)-2-hydroxypropanoic acid
CID 107833491
N-(3-amino-3-hydroxyimino-2-methylpropyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 76953006
6-bromo-N-(3-hydroxy-2-methylpropyl)naphthalene-2-carboxamide
CID 113278451
N-[(2S)-butan-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 95358601
3-amino-N-(3-hydroxy-2-methylpropyl)benzamide
CID 65032070

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2-methylpropyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The IUPAC name of N-(3-hydroxy-2-methylpropyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide (CID 65037202) is N-(3-hydroxy-2-methylpropyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide.
What is the SMILES notation for N-(3-hydroxy-2-methylpropyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The canonical SMILES for N-(3-hydroxy-2-methylpropyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide is CC(CO)CNC(=O)c1ccc2c(c1)CCCC2.
What is the InChIKey of N-(3-hydroxy-2-methylpropyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The InChIKey is NIGAMRSXSQOTDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-11(10-17)9-16-15(18)14-7-6-12-4-2-3-5-13(12)8-14/h6-8,11,17H,2-5,9-10H2,1H3,(H,16,18).
What are the key properties of N-(3-hydroxy-2-methylpropyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
N-(3-hydroxy-2-methylpropyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide has a molecular weight of 247.34 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2-methylpropyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 65037202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).