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

C17H25NO2 — CID 106352920

IUPACN-(1-hydroxy-4-methylpentan-3-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
SMILESCC(C)C(CCO)NC(=O)C1CCc2ccccc2C1
InChIInChI=1S/C17H25NO2/c1-12(2)16(9-10-19)18-17(20)15-8-7-13-5-3-4-6-14(13)11-15/h3-6,12,15-16,19H,7-11H2,1-2H3,(H,18,20)
InChIKeyYTPRUKFXAWTQGP-UHFFFAOYSA-N
MW275.39 g/mol
LogP2.31
Rot. Bonds5

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

N-(1-hydroxy-4-methylpentan-3-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide (PubChem CID 106352920) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is N-(1-hydroxy-4-methylpentan-3-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-4-methylpentan-3-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
PubChem CID106352920
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC NameN-(1-hydroxy-4-methylpentan-3-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
SMILESCC(C)C(CCO)NC(=O)C1CCc2ccccc2C1
InChIInChI=1S/C17H25NO2/c1-12(2)16(9-10-19)18-17(20)15-8-7-13-5-3-4-6-14(13)11-15/h3-6,12,15-16,19H,7-11H2,1-2H3,(H,18,20)
InChIKeyYTPRUKFXAWTQGP-UHFFFAOYSA-N
XLogP2.31
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-3-(1,2,3,4-tetrahydronaphthalene-2-carbonylamino)pentanoic acid
CID 107126365
3-(2,3-dihydro-1H-indene-2-carbonylamino)-4-methylpentanoic acid
CID 106892468
N-(5-aminopentan-2-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107127829
(2S)-N-(1-hydroxy-4-methylpentan-3-yl)-2,3-dihydro-1H-indole-2-carboxamide
CID 106349732
N-(1-methylsulfonylpropan-2-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 154865257
(2S)-3,3-dimethyl-2-(1,2,3,4-tetrahydronaphthalene-2-carbonylamino)butanoic acid
CID 107126261
N-(1-aminopentan-2-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107127262
N-(1-amino-2,3-dimethylbutan-2-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107127299
(2R)-4-methylsulfanyl-2-(1,2,3,4-tetrahydronaphthalene-2-carbonylamino)butanoic acid
CID 107126374
ethane;N-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 143214414
3-(2,3-dihydro-1H-inden-2-ylamino)-4-methylpentan-1-ol
CID 103786504
(2R)-3-phenyl-2-(1,2,3,4-tetrahydronaphthalene-2-carbonylamino)propanoic acid
CID 14557388

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-4-methylpentan-3-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The IUPAC name of N-(1-hydroxy-4-methylpentan-3-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide (CID 106352920) is N-(1-hydroxy-4-methylpentan-3-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide.
What is the SMILES notation for N-(1-hydroxy-4-methylpentan-3-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The canonical SMILES for N-(1-hydroxy-4-methylpentan-3-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide is CC(C)C(CCO)NC(=O)C1CCc2ccccc2C1.
What is the InChIKey of N-(1-hydroxy-4-methylpentan-3-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The InChIKey is YTPRUKFXAWTQGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-12(2)16(9-10-19)18-17(20)15-8-7-13-5-3-4-6-14(13)11-15/h3-6,12,15-16,19H,7-11H2,1-2H3,(H,18,20).
What are the key properties of N-(1-hydroxy-4-methylpentan-3-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
N-(1-hydroxy-4-methylpentan-3-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide has a molecular weight of 275.39 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-4-methylpentan-3-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 106352920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).