N,N-diethyl-2-(4-hydroxy-1-methylnaphthalen-2-yl)acetamide

C17H21NO2 — CID 139595061

IUPACN,N-diethyl-2-(4-hydroxy-1-methylnaphthalen-2-yl)acetamide
SMILESCCN(CC)C(=O)Cc1cc(O)c2ccccc2c1C
InChIInChI=1S/C17H21NO2/c1-4-18(5-2)17(20)11-13-10-16(19)15-9-7-6-8-14(15)12(13)3/h6-10,19H,4-5,11H2,1-3H3
InChIKeyGHESTCWWALVJKW-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.26
Rot. Bonds4

About N,N-diethyl-2-(4-hydroxy-1-methylnaphthalen-2-yl)acetamide

N,N-diethyl-2-(4-hydroxy-1-methylnaphthalen-2-yl)acetamide (PubChem CID 139595061) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is N,N-diethyl-2-(4-hydroxy-1-methylnaphthalen-2-yl)acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-(4-hydroxy-1-methylnaphthalen-2-yl)acetamide
PubChem CID139595061
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC NameN,N-diethyl-2-(4-hydroxy-1-methylnaphthalen-2-yl)acetamide
SMILESCCN(CC)C(=O)Cc1cc(O)c2ccccc2c1C
InChIInChI=1S/C17H21NO2/c1-4-18(5-2)17(20)11-13-10-16(19)15-9-7-6-8-14(15)12(13)3/h6-10,19H,4-5,11H2,1-3H3
InChIKeyGHESTCWWALVJKW-UHFFFAOYSA-N
XLogP3.26
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 ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 4586649
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CID 2232860
3-(2-hydroxy-1-naphthyl)-N-isobutyl-3-phenylpropanamide
CID 2849137
3-(2-Hydroxy-3,4-dimethylphenyl)-3-phenyl-1-piperazin-1-ylpropan-1-one
CID 2946962
N-[2-(7-hydroxynaphthalen-1-yl)ethyl]but-3-enamide
CID 18007990
3-(2-Hydroxy-1-naphthyl)propanamide
CID 44322673
3-(2-Hydroxy-5-methylphenyl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one
CID 4999569
2-(3,4-dihydroxyphenyl)-N-[3-(3,4-dimethylphenyl)propyl]acetamide
CID 10425731
15-[2-(Dimethylamino)ethyl]-10-hydroxy-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione
CID 10544687
N,N-Diethyl-3-(2-hydroxy-naphthalen-1-yl)-propionamide
CID 44322647
N-[2-(7-hydroxy-8-prop-2-enylnaphthalen-1-yl)ethyl]propanamide
CID 44359270
2-(3-hydroxyphenyl)-N-[3-(4-hydroxyphenyl)-2-phenylpropyl]acetamide
CID 44532536

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(4-hydroxy-1-methylnaphthalen-2-yl)acetamide?
The IUPAC name of N,N-diethyl-2-(4-hydroxy-1-methylnaphthalen-2-yl)acetamide (CID 139595061) is N,N-diethyl-2-(4-hydroxy-1-methylnaphthalen-2-yl)acetamide.
What is the SMILES notation for N,N-diethyl-2-(4-hydroxy-1-methylnaphthalen-2-yl)acetamide?
The canonical SMILES for N,N-diethyl-2-(4-hydroxy-1-methylnaphthalen-2-yl)acetamide is CCN(CC)C(=O)Cc1cc(O)c2ccccc2c1C.
What is the InChIKey of N,N-diethyl-2-(4-hydroxy-1-methylnaphthalen-2-yl)acetamide?
The InChIKey is GHESTCWWALVJKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-4-18(5-2)17(20)11-13-10-16(19)15-9-7-6-8-14(15)12(13)3/h6-10,19H,4-5,11H2,1-3H3.
What are the key properties of N,N-diethyl-2-(4-hydroxy-1-methylnaphthalen-2-yl)acetamide?
N,N-diethyl-2-(4-hydroxy-1-methylnaphthalen-2-yl)acetamide has a molecular weight of 271.36 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(4-hydroxy-1-methylnaphthalen-2-yl)acetamide is sourced from PubChem (CID 139595061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).