[2-(4-tert-butylanilino)-2-oxoethyl] 2-naphthalen-2-yloxyacetate

C24H25NO4 — CID 7843324

IUPAC[2-(4-tert-butylanilino)-2-oxoethyl] 2-naphthalen-2-yloxyacetate
SMILESCC(C)(C)c1ccc(NC(=O)COC(=O)COc2ccc3ccccc3c2)cc1
InChIInChI=1S/C24H25NO4/c1-24(2,3)19-9-11-20(12-10-19)25-22(26)15-29-23(27)16-28-21-13-8-17-6-4-5-7-18(17)14-21/h4-14H,15-16H2,1-3H3,(H,25,26)
InChIKeyRIXQFDHMYHUOHH-UHFFFAOYSA-N
MW391.47 g/mol
LogP4.70
Rot. Bonds6

About [2-(4-tert-butylanilino)-2-oxoethyl] 2-naphthalen-2-yloxyacetate

[2-(4-tert-butylanilino)-2-oxoethyl] 2-naphthalen-2-yloxyacetate (PubChem CID 7843324) has the molecular formula C24H25NO4 and a molecular weight of 391.47 g/mol. Its IUPAC name is [2-(4-tert-butylanilino)-2-oxoethyl] 2-naphthalen-2-yloxyacetate.

Molecular Properties

Compound Name[2-(4-tert-butylanilino)-2-oxoethyl] 2-naphthalen-2-yloxyacetate
PubChem CID7843324
Molecular FormulaC24H25NO4
Molecular Weight391.47 g/mol
Exact Mass391.18
IUPAC Name[2-(4-tert-butylanilino)-2-oxoethyl] 2-naphthalen-2-yloxyacetate
SMILESCC(C)(C)c1ccc(NC(=O)COC(=O)COc2ccc3ccccc3c2)cc1
InChIInChI=1S/C24H25NO4/c1-24(2,3)19-9-11-20(12-10-19)25-22(26)15-29-23(27)16-28-21-13-8-17-6-4-5-7-18(17)14-21/h4-14H,15-16H2,1-3H3,(H,25,26)
InChIKeyRIXQFDHMYHUOHH-UHFFFAOYSA-N
XLogP4.70
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(4-tert-butylanilino)-2-oxoethyl] 2-naphthalen-2-yloxyacetate 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

[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-naphthalen-2-yloxyacetate
CID 8821313
methyl 4-[[2-[2-(4-tert-butylphenoxy)acetyl]oxyacetyl]amino]benzoate
CID 7855555
N-naphthalen-2-yl-2-naphthalen-2-yloxyacetamide
CID 879369
[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(4-tert-butylphenoxy)acetate
CID 2608529
N-[4-(carbamoylamino)phenyl]-2-naphthalen-2-yloxyacetamide
CID 33152788
[2-(naphthalen-2-ylamino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenoxy]acetate
CID 8912726
[2-(2-methylanilino)-2-oxoethyl] 2-naphthalen-2-yloxyacetate
CID 7843327
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 2-(4-tert-butylphenoxy)acetate
CID 9328171
[2-(2-acetylhydrazinyl)-2-oxoethyl] 2-naphthalen-2-yloxyacetate
CID 8821296
[2-(4-tert-butylanilino)-2-oxoethyl] 2-[(2-phenoxyacetyl)amino]acetate
CID 42964669
[2-[4-(cyanomethyl)anilino]-2-oxoethyl] 2-(4-tert-butylphenoxy)acetate
CID 7605031
[2-(3-chloro-4-methylanilino)-2-oxoethyl] 2-(4-tert-butylphenoxy)acetate
CID 1409597

Frequently Asked Questions

What is the IUPAC name of [2-(4-tert-butylanilino)-2-oxoethyl] 2-naphthalen-2-yloxyacetate?
The IUPAC name of [2-(4-tert-butylanilino)-2-oxoethyl] 2-naphthalen-2-yloxyacetate (CID 7843324) is [2-(4-tert-butylanilino)-2-oxoethyl] 2-naphthalen-2-yloxyacetate.
What is the SMILES notation for [2-(4-tert-butylanilino)-2-oxoethyl] 2-naphthalen-2-yloxyacetate?
The canonical SMILES for [2-(4-tert-butylanilino)-2-oxoethyl] 2-naphthalen-2-yloxyacetate is CC(C)(C)c1ccc(NC(=O)COC(=O)COc2ccc3ccccc3c2)cc1.
What is the InChIKey of [2-(4-tert-butylanilino)-2-oxoethyl] 2-naphthalen-2-yloxyacetate?
The InChIKey is RIXQFDHMYHUOHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO4/c1-24(2,3)19-9-11-20(12-10-19)25-22(26)15-29-23(27)16-28-21-13-8-17-6-4-5-7-18(17)14-21/h4-14H,15-16H2,1-3H3,(H,25,26).
What are the key properties of [2-(4-tert-butylanilino)-2-oxoethyl] 2-naphthalen-2-yloxyacetate?
[2-(4-tert-butylanilino)-2-oxoethyl] 2-naphthalen-2-yloxyacetate has a molecular weight of 391.47 g/mol, XLogP of 4.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-tert-butylanilino)-2-oxoethyl] 2-naphthalen-2-yloxyacetate is sourced from PubChem (CID 7843324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).