2-(2-ethyl-4-oxo-1,3-dihydronaphthalen-2-yl)-N-(3-hydroxy-5-methylphenyl)acetamide

C21H23NO3 — CID 166247233

IUPAC2-(2-ethyl-4-oxo-1,3-dihydronaphthalen-2-yl)-N-(3-hydroxy-5-methylphenyl)acetamide
SMILESCCC1(CC(=O)Nc2cc(C)cc(O)c2)CC(=O)c2ccccc2C1
InChIInChI=1S/C21H23NO3/c1-3-21(11-15-6-4-5-7-18(15)19(24)12-21)13-20(25)22-16-8-14(2)9-17(23)10-16/h4-10,23H,3,11-13H2,1-2H3,(H,22,25)
InChIKeyDEANUAJWQQHMGJ-UHFFFAOYSA-N
MW337.42 g/mol
LogP4.25
Rot. Bonds4

About 2-(2-ethyl-4-oxo-1,3-dihydronaphthalen-2-yl)-N-(3-hydroxy-5-methylphenyl)acetamide

2-(2-ethyl-4-oxo-1,3-dihydronaphthalen-2-yl)-N-(3-hydroxy-5-methylphenyl)acetamide (PubChem CID 166247233) has the molecular formula C21H23NO3 and a molecular weight of 337.42 g/mol. Its IUPAC name is 2-(2-ethyl-4-oxo-1,3-dihydronaphthalen-2-yl)-N-(3-hydroxy-5-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-ethyl-4-oxo-1,3-dihydronaphthalen-2-yl)-N-(3-hydroxy-5-methylphenyl)acetamide
PubChem CID166247233
Molecular FormulaC21H23NO3
Molecular Weight337.42 g/mol
Exact Mass337.17
IUPAC Name2-(2-ethyl-4-oxo-1,3-dihydronaphthalen-2-yl)-N-(3-hydroxy-5-methylphenyl)acetamide
SMILESCCC1(CC(=O)Nc2cc(C)cc(O)c2)CC(=O)c2ccccc2C1
InChIInChI=1S/C21H23NO3/c1-3-21(11-15-6-4-5-7-18(15)19(24)12-21)13-20(25)22-16-8-14(2)9-17(23)10-16/h4-10,23H,3,11-13H2,1-2H3,(H,22,25)
InChIKeyDEANUAJWQQHMGJ-UHFFFAOYSA-N
XLogP4.25
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-butyl-N-(7-hydroxynaphthalen-1-yl)benzamide
CID 44450356
N-(3-hydroxyphenyl)-4-phenyl-3-(piperidin-1-ylmethyl)benzamide;hydrochloride
CID 145963177
N,N'-Bis(3-hydroxyphenyl)isophthalamide
CID 824040
2-Hydroxy-N,6-bis(3-hydroxyphenyl)-1-naphthamide
CID 24950386
2-[2-[(3-Hydroxyphenyl)carbamoyl]phenyl]benzoic acid
CID 759755
2-(3-benzoylphenyl)-N-(3-hydroxy-4-methylphenyl)propanamide
CID 4047797
N-(3-hydroxyphenyl)-2-naphthalen-2-ylacetamide
CID 28739776
4-[(E)-3-(9,10-dioxoanthracen-1-yl)-3-oxoprop-1-enyl]-N-(3-hydroxyphenyl)benzamide
CID 145983075
6-Hydroxy-N-phenylnaphthalene-2-carboxamide
CID 18426616
3,6-Dihydroxy-naphthalene-2-carboxylic acid (3-hydroxy-phenyl)-amide
CID 21014352
3,5-Dihydroxy-N-(3-hydroxyphenyl)naphthalene-2-carboxamide
CID 21036218
6-hydroxy-N-(3-hydroxyphenyl)naphthalene-2-carboxamide
CID 21036222

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-4-oxo-1,3-dihydronaphthalen-2-yl)-N-(3-hydroxy-5-methylphenyl)acetamide?
The IUPAC name of 2-(2-ethyl-4-oxo-1,3-dihydronaphthalen-2-yl)-N-(3-hydroxy-5-methylphenyl)acetamide (CID 166247233) is 2-(2-ethyl-4-oxo-1,3-dihydronaphthalen-2-yl)-N-(3-hydroxy-5-methylphenyl)acetamide.
What is the SMILES notation for 2-(2-ethyl-4-oxo-1,3-dihydronaphthalen-2-yl)-N-(3-hydroxy-5-methylphenyl)acetamide?
The canonical SMILES for 2-(2-ethyl-4-oxo-1,3-dihydronaphthalen-2-yl)-N-(3-hydroxy-5-methylphenyl)acetamide is CCC1(CC(=O)Nc2cc(C)cc(O)c2)CC(=O)c2ccccc2C1.
What is the InChIKey of 2-(2-ethyl-4-oxo-1,3-dihydronaphthalen-2-yl)-N-(3-hydroxy-5-methylphenyl)acetamide?
The InChIKey is DEANUAJWQQHMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO3/c1-3-21(11-15-6-4-5-7-18(15)19(24)12-21)13-20(25)22-16-8-14(2)9-17(23)10-16/h4-10,23H,3,11-13H2,1-2H3,(H,22,25).
What are the key properties of 2-(2-ethyl-4-oxo-1,3-dihydronaphthalen-2-yl)-N-(3-hydroxy-5-methylphenyl)acetamide?
2-(2-ethyl-4-oxo-1,3-dihydronaphthalen-2-yl)-N-(3-hydroxy-5-methylphenyl)acetamide has a molecular weight of 337.42 g/mol, XLogP of 4.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-4-oxo-1,3-dihydronaphthalen-2-yl)-N-(3-hydroxy-5-methylphenyl)acetamide is sourced from PubChem (CID 166247233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).