[1-(tert-butylamino)-3-hydroxynaphthalen-2-yl]-(4-methylphenyl)methanone

C22H23NO2 — CID 141405298

IUPAC[1-(tert-butylamino)-3-hydroxynaphthalen-2-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2c(O)cc3ccccc3c2NC(C)(C)C)cc1
InChIInChI=1S/C22H23NO2/c1-14-9-11-15(12-10-14)21(25)19-18(24)13-16-7-5-6-8-17(16)20(19)23-22(2,3)4/h5-13,23-24H,1-4H3
InChIKeyAUOLZKJSYJLULV-UHFFFAOYSA-N
MW333.43 g/mol
LogP5.30
Rot. Bonds3

About [1-(tert-butylamino)-3-hydroxynaphthalen-2-yl]-(4-methylphenyl)methanone

[1-(tert-butylamino)-3-hydroxynaphthalen-2-yl]-(4-methylphenyl)methanone (PubChem CID 141405298) has the molecular formula C22H23NO2 and a molecular weight of 333.43 g/mol. Its IUPAC name is [1-(tert-butylamino)-3-hydroxynaphthalen-2-yl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[1-(tert-butylamino)-3-hydroxynaphthalen-2-yl]-(4-methylphenyl)methanone
PubChem CID141405298
Molecular FormulaC22H23NO2
Molecular Weight333.43 g/mol
Exact Mass333.17
IUPAC Name[1-(tert-butylamino)-3-hydroxynaphthalen-2-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2c(O)cc3ccccc3c2NC(C)(C)C)cc1
InChIInChI=1S/C22H23NO2/c1-14-9-11-15(12-10-14)21(25)19-18(24)13-16-7-5-6-8-17(16)20(19)23-22(2,3)4/h5-13,23-24H,1-4H3
InChIKeyAUOLZKJSYJLULV-UHFFFAOYSA-N
XLogP5.30
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.43
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}

Analyze [1-(tert-butylamino)-3-hydroxynaphthalen-2-yl]-(4-methylphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-hydroxy-4-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl]-(4-methylphenyl)methanone
CID 18720381
anthracene;4-methylbenzoic acid
CID 175030135
diphenylmethanone;(4-methylphenyl)-phenylmethanone
CID 69336781
4-benzoyl-6-(4-methylbenzoyl)benzene-1,3-dicarboxylic acid
CID 23586588
2-benzoyl-5-(4-methylbenzoyl)terephthalic acid
CID 23586512
(1-aminonaphthalen-2-yl)-(4-methylphenyl)methanone
CID 67495002
1-chloro-3-hydroxynaphthalene-2-carboxylic acid
CID 57137470
(3,4-dibenzoylnaphthalen-2-yl)-phenylmethanone
CID 67114355
1-(1-hydroxynaphthalen-2-yl)-3-(4-methylphenyl)propane-1,3-dione
CID 939829
5-methylbenzene-1,3-dicarboxylic acid;naphthalen-1-ol
CID 158292153
(4-bromophenyl)-(2-methylnaphthalen-1-yl)methanone
CID 81430357
[4-(4-tert-butylbenzoyl)phenyl]-(4-methylphenyl)methanone
CID 145339056

Frequently Asked Questions

What is the IUPAC name of [1-(tert-butylamino)-3-hydroxynaphthalen-2-yl]-(4-methylphenyl)methanone?
The IUPAC name of [1-(tert-butylamino)-3-hydroxynaphthalen-2-yl]-(4-methylphenyl)methanone (CID 141405298) is [1-(tert-butylamino)-3-hydroxynaphthalen-2-yl]-(4-methylphenyl)methanone.
What is the SMILES notation for [1-(tert-butylamino)-3-hydroxynaphthalen-2-yl]-(4-methylphenyl)methanone?
The canonical SMILES for [1-(tert-butylamino)-3-hydroxynaphthalen-2-yl]-(4-methylphenyl)methanone is Cc1ccc(C(=O)c2c(O)cc3ccccc3c2NC(C)(C)C)cc1.
What is the InChIKey of [1-(tert-butylamino)-3-hydroxynaphthalen-2-yl]-(4-methylphenyl)methanone?
The InChIKey is AUOLZKJSYJLULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO2/c1-14-9-11-15(12-10-14)21(25)19-18(24)13-16-7-5-6-8-17(16)20(19)23-22(2,3)4/h5-13,23-24H,1-4H3.
What are the key properties of [1-(tert-butylamino)-3-hydroxynaphthalen-2-yl]-(4-methylphenyl)methanone?
[1-(tert-butylamino)-3-hydroxynaphthalen-2-yl]-(4-methylphenyl)methanone has a molecular weight of 333.43 g/mol, XLogP of 5.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(tert-butylamino)-3-hydroxynaphthalen-2-yl]-(4-methylphenyl)methanone is sourced from PubChem (CID 141405298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).