N-(1-hydroxy-3-methylbutan-2-yl)-2-naphthalen-1-ylacetamide

C17H21NO2 — CID 79252551

IUPACN-(1-hydroxy-3-methylbutan-2-yl)-2-naphthalen-1-ylacetamide
SMILESCC(C)C(CO)NC(=O)Cc1cccc2ccccc12
InChIInChI=1S/C17H21NO2/c1-12(2)16(11-19)18-17(20)10-14-8-5-7-13-6-3-4-9-15(13)14/h3-9,12,16,19H,10-11H2,1-2H3,(H,18,20)
InChIKeyBUQUWLNDZPIAOO-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.52
Rot. Bonds5

About N-(1-hydroxy-3-methylbutan-2-yl)-2-naphthalen-1-ylacetamide

N-(1-hydroxy-3-methylbutan-2-yl)-2-naphthalen-1-ylacetamide (PubChem CID 79252551) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is N-(1-hydroxy-3-methylbutan-2-yl)-2-naphthalen-1-ylacetamide.

Molecular Properties

Compound NameN-(1-hydroxy-3-methylbutan-2-yl)-2-naphthalen-1-ylacetamide
PubChem CID79252551
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC NameN-(1-hydroxy-3-methylbutan-2-yl)-2-naphthalen-1-ylacetamide
SMILESCC(C)C(CO)NC(=O)Cc1cccc2ccccc12
InChIInChI=1S/C17H21NO2/c1-12(2)16(11-19)18-17(20)10-14-8-5-7-13-6-3-4-9-15(13)14/h3-9,12,16,19H,10-11H2,1-2H3,(H,18,20)
InChIKeyBUQUWLNDZPIAOO-UHFFFAOYSA-N
XLogP2.52
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanoic acid
CID 2084038
(2R)-2-[(2-naphthalen-1-ylacetyl)amino]propanoic acid
CID 2088738
2-[2-(aminomethyl)phenyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]acetamide
CID 81322851
2-naphthalen-1-yl-N-[(1S)-1-phenylethyl]acetamide
CID 1225206
N-(1-cyano-2-methylpropyl)-2-naphthalen-1-ylacetamide
CID 63928538
methyl (2R)-2-[(2-naphthalen-1-ylacetyl)amino]propanoate
CID 2079406
phenyl (2S)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanoate
CID 9138862
3-methyl-2-(2-naphthalen-1-ylethylamino)butan-1-ol
CID 115137751
2-[[(2S)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanoyl]amino]acetic acid
CID 122366195
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-(3-methylphenyl)acetamide
CID 79253237
2-naphthalen-1-yl-N-[(1R)-1-(4-phenylphenyl)ethyl]acetamide
CID 7948833
N-(1-chloro-4-methylpentan-2-yl)-2-naphthalen-1-ylacetamide
CID 114300915

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-3-methylbutan-2-yl)-2-naphthalen-1-ylacetamide?
The IUPAC name of N-(1-hydroxy-3-methylbutan-2-yl)-2-naphthalen-1-ylacetamide (CID 79252551) is N-(1-hydroxy-3-methylbutan-2-yl)-2-naphthalen-1-ylacetamide.
What is the SMILES notation for N-(1-hydroxy-3-methylbutan-2-yl)-2-naphthalen-1-ylacetamide?
The canonical SMILES for N-(1-hydroxy-3-methylbutan-2-yl)-2-naphthalen-1-ylacetamide is CC(C)C(CO)NC(=O)Cc1cccc2ccccc12.
What is the InChIKey of N-(1-hydroxy-3-methylbutan-2-yl)-2-naphthalen-1-ylacetamide?
The InChIKey is BUQUWLNDZPIAOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-12(2)16(11-19)18-17(20)10-14-8-5-7-13-6-3-4-9-15(13)14/h3-9,12,16,19H,10-11H2,1-2H3,(H,18,20).
What are the key properties of N-(1-hydroxy-3-methylbutan-2-yl)-2-naphthalen-1-ylacetamide?
N-(1-hydroxy-3-methylbutan-2-yl)-2-naphthalen-1-ylacetamide has a molecular weight of 271.36 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-3-methylbutan-2-yl)-2-naphthalen-1-ylacetamide is sourced from PubChem (CID 79252551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).