4-amino-3-(4-hydroxyphenyl)-1-naphthalen-2-ylbutan-2-one

C20H19NO2 — CID 161368892

IUPAC4-amino-3-(4-hydroxyphenyl)-1-naphthalen-2-ylbutan-2-one
SMILESNCC(C(=O)Cc1ccc2ccccc2c1)c1ccc(O)cc1
InChIInChI=1S/C20H19NO2/c21-13-19(16-7-9-18(22)10-8-16)20(23)12-14-5-6-15-3-1-2-4-17(15)11-14/h1-11,19,22H,12-13,21H2
InChIKeyOXVHZMJQCXZQFE-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.40
Rot. Bonds5

About 4-amino-3-(4-hydroxyphenyl)-1-naphthalen-2-ylbutan-2-one

4-amino-3-(4-hydroxyphenyl)-1-naphthalen-2-ylbutan-2-one (PubChem CID 161368892) has the molecular formula C20H19NO2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 4-amino-3-(4-hydroxyphenyl)-1-naphthalen-2-ylbutan-2-one.

Molecular Properties

Compound Name4-amino-3-(4-hydroxyphenyl)-1-naphthalen-2-ylbutan-2-one
PubChem CID161368892
Molecular FormulaC20H19NO2
Molecular Weight305.38 g/mol
Exact Mass305.14
IUPAC Name4-amino-3-(4-hydroxyphenyl)-1-naphthalen-2-ylbutan-2-one
SMILESNCC(C(=O)Cc1ccc2ccccc2c1)c1ccc(O)cc1
InChIInChI=1S/C20H19NO2/c21-13-19(16-7-9-18(22)10-8-16)20(23)12-14-5-6-15-3-1-2-4-17(15)11-14/h1-11,19,22H,12-13,21H2
InChIKeyOXVHZMJQCXZQFE-UHFFFAOYSA-N
XLogP3.40
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-3-(4-hydroxyphenyl)-1-isoquinolin-6-ylpentan-2-one
CID 146602977
4-amino-1-isoquinolin-6-yl-3-(4-methylphenyl)butan-2-one
CID 157297734
[4-(1-amino-4-naphthalen-2-yl-3-oxobutan-2-yl)phenyl] butanoate;[4-(1-amino-4-naphthalen-2-yl-3-oxobutan-2-yl)phenyl]methyl butanoate;[4-(1-amino-4-naphthalen-2-yl-3-oxobutan-2-yl)phenyl]methyl cyclopentanecarboxylate
CID 157450684
tris([4-[(2S)-1-amino-4-isoquinolin-6-yl-3-oxobutan-2-yl]phenyl]methyl benzoate);bis(dichloromethane);ethane
CID 159740251
4-amino-1-(4-chloro-3-fluorophenyl)-3-phenylbutan-2-one
CID 107889994
3-amino-5-naphthalen-2-yl-4-oxopentanamide
CID 157121137
(3S)-4-amino-3-(4-chlorophenyl)-1-naphthalen-2-ylbutan-2-one;(3S)-4-amino-3-[4-(hydroxymethyl)phenyl]-1-naphthalen-2-ylbutan-2-one;(3S)-4-amino-3-(4-methylphenyl)-1-naphthalen-2-ylbutan-2-one;[4-[(2S)-1-amino-4-naphthalen-2-yl-3-oxobutan-2-yl]phenyl]methyl benzoate;[4-[(2S)-1-amino-4-naphthalen-2-yl-3-oxobutan-2-yl]phenyl]methyl 2,4-dimethylbenzoate;methane
CID 159611503
[4-(1-amino-4-isoquinolin-6-yl-3-oxobutan-2-yl)phenyl]methyl 3,5-dimethylbenzoate
CID 147361445
4-amino-3-phenyl-1-pyridin-4-ylbutan-2-one
CID 116567147
3-naphthalen-2-yl-2-oxopropanamide
CID 57061050
4-amino-1-isoquinolin-6-yl-3-(4-phenacyloxyphenyl)butan-2-one;1-isoquinolin-6-yl-3-(4-phenacyloxyphenyl)pentan-2-one;methane
CID 158727425
1-(2,5-dihydroxyphenyl)-2-naphthalen-2-ylethanone
CID 86168502

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(4-hydroxyphenyl)-1-naphthalen-2-ylbutan-2-one?
The IUPAC name of 4-amino-3-(4-hydroxyphenyl)-1-naphthalen-2-ylbutan-2-one (CID 161368892) is 4-amino-3-(4-hydroxyphenyl)-1-naphthalen-2-ylbutan-2-one.
What is the SMILES notation for 4-amino-3-(4-hydroxyphenyl)-1-naphthalen-2-ylbutan-2-one?
The canonical SMILES for 4-amino-3-(4-hydroxyphenyl)-1-naphthalen-2-ylbutan-2-one is NCC(C(=O)Cc1ccc2ccccc2c1)c1ccc(O)cc1.
What is the InChIKey of 4-amino-3-(4-hydroxyphenyl)-1-naphthalen-2-ylbutan-2-one?
The InChIKey is OXVHZMJQCXZQFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO2/c21-13-19(16-7-9-18(22)10-8-16)20(23)12-14-5-6-15-3-1-2-4-17(15)11-14/h1-11,19,22H,12-13,21H2.
What are the key properties of 4-amino-3-(4-hydroxyphenyl)-1-naphthalen-2-ylbutan-2-one?
4-amino-3-(4-hydroxyphenyl)-1-naphthalen-2-ylbutan-2-one has a molecular weight of 305.38 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(4-hydroxyphenyl)-1-naphthalen-2-ylbutan-2-one is sourced from PubChem (CID 161368892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).