[4-(1-naphthalen-2-ylpropan-2-ylamino)phenyl] acetate

C21H21NO2 — CID 168720430

IUPAC[4-(1-naphthalen-2-ylpropan-2-ylamino)phenyl] acetate
SMILESCC(=O)Oc1ccc(NC(C)Cc2ccc3ccccc3c2)cc1
InChIInChI=1S/C21H21NO2/c1-15(22-20-9-11-21(12-10-20)24-16(2)23)13-17-7-8-18-5-3-4-6-19(18)14-17/h3-12,14-15,22H,13H2,1-2H3
InChIKeyKBEGQGZDGIYDPX-UHFFFAOYSA-N
MW319.40 g/mol
LogP4.81
Rot. Bonds5

About [4-(1-naphthalen-2-ylpropan-2-ylamino)phenyl] acetate

[4-(1-naphthalen-2-ylpropan-2-ylamino)phenyl] acetate (PubChem CID 168720430) has the molecular formula C21H21NO2 and a molecular weight of 319.40 g/mol. Its IUPAC name is [4-(1-naphthalen-2-ylpropan-2-ylamino)phenyl] acetate.

Molecular Properties

Compound Name[4-(1-naphthalen-2-ylpropan-2-ylamino)phenyl] acetate
PubChem CID168720430
Molecular FormulaC21H21NO2
Molecular Weight319.40 g/mol
Exact Mass319.16
IUPAC Name[4-(1-naphthalen-2-ylpropan-2-ylamino)phenyl] acetate
SMILESCC(=O)Oc1ccc(NC(C)Cc2ccc3ccccc3c2)cc1
InChIInChI=1S/C21H21NO2/c1-15(22-20-9-11-21(12-10-20)24-16(2)23)13-17-7-8-18-5-3-4-6-19(18)14-17/h3-12,14-15,22H,13H2,1-2H3
InChIKeyKBEGQGZDGIYDPX-UHFFFAOYSA-N
XLogP4.81
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

ethane;4-(1-naphthalen-2-ylpropan-2-ylamino)phenol
CID 145300140
4-aminophenol;1-naphthalen-2-ylpropan-2-one;4-(1-naphthalen-2-ylpropan-2-ylamino)phenol
CID 162091862
4-methoxy-N-[1-(4-methoxyphenyl)propan-2-yl]aniline
CID 43508755
1-[2-(1-naphthalen-2-ylpropan-2-ylamino)phenyl]ethanol
CID 129056725
sodium 2-(4-methylanilino)-3-naphthalen-2-ylpropanoate
CID 139753308
2-acetamido-2-methyl-N-[(2R)-1-naphthalen-2-ylpropan-2-yl]propanamide
CID 97318164
N-(4-acetamidophenyl)-2-naphthalen-2-ylacetamide
CID 26499620
(6-benzylnaphthalen-2-yl) acetate
CID 132602814
(4-acetylphenyl) 2-naphthalen-2-ylacetate
CID 8764059
(2S)-N-[(1R)-1-amino-2-oxopropyl]-2-methyl-3-naphthalen-2-ylpropanamide
CID 71163130
2-naphthalen-2-yl-N-[4-(propan-2-ylcarbamoylamino)phenyl]acetamide
CID 38196427
(2S)-N-[(2S)-1-naphthalen-2-ylpropan-2-yl]-2-propan-2-ylsulfonylpropanamide
CID 95382799

Frequently Asked Questions

What is the IUPAC name of [4-(1-naphthalen-2-ylpropan-2-ylamino)phenyl] acetate?
The IUPAC name of [4-(1-naphthalen-2-ylpropan-2-ylamino)phenyl] acetate (CID 168720430) is [4-(1-naphthalen-2-ylpropan-2-ylamino)phenyl] acetate.
What is the SMILES notation for [4-(1-naphthalen-2-ylpropan-2-ylamino)phenyl] acetate?
The canonical SMILES for [4-(1-naphthalen-2-ylpropan-2-ylamino)phenyl] acetate is CC(=O)Oc1ccc(NC(C)Cc2ccc3ccccc3c2)cc1.
What is the InChIKey of [4-(1-naphthalen-2-ylpropan-2-ylamino)phenyl] acetate?
The InChIKey is KBEGQGZDGIYDPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO2/c1-15(22-20-9-11-21(12-10-20)24-16(2)23)13-17-7-8-18-5-3-4-6-19(18)14-17/h3-12,14-15,22H,13H2,1-2H3.
What are the key properties of [4-(1-naphthalen-2-ylpropan-2-ylamino)phenyl] acetate?
[4-(1-naphthalen-2-ylpropan-2-ylamino)phenyl] acetate has a molecular weight of 319.40 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-naphthalen-2-ylpropan-2-ylamino)phenyl] acetate is sourced from PubChem (CID 168720430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).