[1-[[2-(4-aminophenyl)acetyl]amino]-2-methylpropan-2-yl] acetate

C14H20N2O3 — CID 174637414

IUPAC[1-[[2-(4-aminophenyl)acetyl]amino]-2-methylpropan-2-yl] acetate
SMILESCC(=O)OC(C)(C)CNC(=O)Cc1ccc(N)cc1
InChIInChI=1S/C14H20N2O3/c1-10(17)19-14(2,3)9-16-13(18)8-11-4-6-12(15)7-5-11/h4-7H,8-9,15H2,1-3H3,(H,16,18)
InChIKeyMXUYPGNKLYSXFL-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.27
Rot. Bonds5

About [1-[[2-(4-aminophenyl)acetyl]amino]-2-methylpropan-2-yl] acetate

[1-[[2-(4-aminophenyl)acetyl]amino]-2-methylpropan-2-yl] acetate (PubChem CID 174637414) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is [1-[[2-(4-aminophenyl)acetyl]amino]-2-methylpropan-2-yl] acetate.

Molecular Properties

Compound Name[1-[[2-(4-aminophenyl)acetyl]amino]-2-methylpropan-2-yl] acetate
PubChem CID174637414
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name[1-[[2-(4-aminophenyl)acetyl]amino]-2-methylpropan-2-yl] acetate
SMILESCC(=O)OC(C)(C)CNC(=O)Cc1ccc(N)cc1
InChIInChI=1S/C14H20N2O3/c1-10(17)19-14(2,3)9-16-13(18)8-11-4-6-12(15)7-5-11/h4-7H,8-9,15H2,1-3H3,(H,16,18)
InChIKeyMXUYPGNKLYSXFL-UHFFFAOYSA-N
XLogP1.27
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(4-aminophenyl)-N-(2-hydroxy-2-methylpropyl)acetamide
CID 65103911
3-[[2-(4-aminophenyl)acetyl]amino]-2,2-dimethylpropanamide
CID 103809503
2-(4-aminophenyl)-N-(2-methyl-2-methylsulfanylpropyl)acetamide
CID 113266939
N-(2-amino-2-ethylbutyl)-2-(4-aminophenyl)acetamide
CID 122080857
2-(4-aminophenyl)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]acetamide
CID 106139459
tert-butyl N-[3-[[2-(4-aminophenyl)acetyl]amino]propyl]carbamate
CID 104932589
2-(4-aminophenyl)-N-(2,2,4-trimethylpentyl)acetamide;hydrochloride
CID 119820240
2-(4-aminophenyl)-N-[2-(4-chlorophenyl)-2-methylpropyl]acetamide;hydrochloride
CID 119738044
2-(4-aminophenyl)-N-(2-methylprop-2-enyl)acetamide
CID 114614956
2-(4-aminophenyl)-N-(2-methylpropyl)acetamide
CID 16776382
2-(4-aminophenyl)-N-[2-(3-fluorophenyl)-2-methylpropyl]acetamide
CID 119796104
N-(2-hydroxy-2-methylpropyl)-2-(4-methoxyphenyl)acetamide
CID 65109847

Frequently Asked Questions

What is the IUPAC name of [1-[[2-(4-aminophenyl)acetyl]amino]-2-methylpropan-2-yl] acetate?
The IUPAC name of [1-[[2-(4-aminophenyl)acetyl]amino]-2-methylpropan-2-yl] acetate (CID 174637414) is [1-[[2-(4-aminophenyl)acetyl]amino]-2-methylpropan-2-yl] acetate.
What is the SMILES notation for [1-[[2-(4-aminophenyl)acetyl]amino]-2-methylpropan-2-yl] acetate?
The canonical SMILES for [1-[[2-(4-aminophenyl)acetyl]amino]-2-methylpropan-2-yl] acetate is CC(=O)OC(C)(C)CNC(=O)Cc1ccc(N)cc1.
What is the InChIKey of [1-[[2-(4-aminophenyl)acetyl]amino]-2-methylpropan-2-yl] acetate?
The InChIKey is MXUYPGNKLYSXFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-10(17)19-14(2,3)9-16-13(18)8-11-4-6-12(15)7-5-11/h4-7H,8-9,15H2,1-3H3,(H,16,18).
What are the key properties of [1-[[2-(4-aminophenyl)acetyl]amino]-2-methylpropan-2-yl] acetate?
[1-[[2-(4-aminophenyl)acetyl]amino]-2-methylpropan-2-yl] acetate has a molecular weight of 264.32 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[2-(4-aminophenyl)acetyl]amino]-2-methylpropan-2-yl] acetate is sourced from PubChem (CID 174637414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).