N-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]-N-propan-2-ylacetamide

C17H21NO2 — CID 125463943

IUPACN-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]-N-propan-2-ylacetamide
SMILESCC(=O)N(C[C@@H](O)c1ccc2ccccc2c1)C(C)C
InChIInChI=1S/C17H21NO2/c1-12(2)18(13(3)19)11-17(20)16-9-8-14-6-4-5-7-15(14)10-16/h4-10,12,17,20H,11H2,1-3H3/t17-/m1/s1
InChIKeyOUSBJAGVQWHQPD-QGZVFWFLSA-N
MW271.36 g/mol
LogP3.13
Rot. Bonds4

About N-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]-N-propan-2-ylacetamide

N-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]-N-propan-2-ylacetamide (PubChem CID 125463943) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is N-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]-N-propan-2-ylacetamide
PubChem CID125463943
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC NameN-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]-N-propan-2-ylacetamide
SMILESCC(=O)N(C[C@@H](O)c1ccc2ccccc2c1)C(C)C
InChIInChI=1S/C17H21NO2/c1-12(2)18(13(3)19)11-17(20)16-9-8-14-6-4-5-7-15(14)10-16/h4-10,12,17,20H,11H2,1-3H3/t17-/m1/s1
InChIKeyOUSBJAGVQWHQPD-QGZVFWFLSA-N
XLogP3.13
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(dimethylamino)-1-naphthalen-2-ylethanol
CID 60981028
2-[methyl(pentan-2-yl)amino]-1-naphthalen-2-ylethanol
CID 60970944
3-methyl-1-naphthalen-2-ylbutan-1-ol
CID 62717256
4-hydroxy-N-methoxy-N-methyl-4-naphthalen-2-ylbutanamide
CID 135059721
2-(2,2-dimethylhydrazinyl)-1-naphthalen-2-ylethanol
CID 83014779
ethane;1-naphthalen-2-ylpropan-1-ol
CID 143858826
N-(2-hydroxy-2-naphthalen-2-ylethyl)-2-methylpropanamide
CID 111112159
2-(dimethylamino)-N-(2-hydroxy-2-naphthalen-2-ylethyl)-3-methylbutanamide
CID 111112176
2-[methyl-(1-methylpiperidin-4-yl)amino]-1-naphthalen-2-ylethanol
CID 82216002
(3S)-3-naphthalen-2-ylbutanoic acid
CID 11350489
methyl 3-hydroxy-3-naphthalen-2-ylpropanoate
CID 14361476
methyl (3R)-3-hydroxy-3-naphthalen-2-ylpropanoate
CID 14361475

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]-N-propan-2-ylacetamide?
The IUPAC name of N-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]-N-propan-2-ylacetamide (CID 125463943) is N-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]-N-propan-2-ylacetamide.
What is the SMILES notation for N-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]-N-propan-2-ylacetamide?
The canonical SMILES for N-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]-N-propan-2-ylacetamide is CC(=O)N(C[C@@H](O)c1ccc2ccccc2c1)C(C)C.
What is the InChIKey of N-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]-N-propan-2-ylacetamide?
The InChIKey is OUSBJAGVQWHQPD-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H21NO2/c1-12(2)18(13(3)19)11-17(20)16-9-8-14-6-4-5-7-15(14)10-16/h4-10,12,17,20H,11H2,1-3H3/t17-/m1/s1.
What are the key properties of N-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]-N-propan-2-ylacetamide?
N-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]-N-propan-2-ylacetamide has a molecular weight of 271.36 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]-N-propan-2-ylacetamide is sourced from PubChem (CID 125463943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).