[2-acetyloxy-4-[(tert-butylamino)carbamoyl]phenyl] acetate

C15H20N2O5 — CID 134102316

IUPAC[2-acetyloxy-4-[(tert-butylamino)carbamoyl]phenyl] acetate
SMILESCC(=O)Oc1ccc(C(=O)NNC(C)(C)C)cc1OC(C)=O
InChIInChI=1S/C15H20N2O5/c1-9(18)21-12-7-6-11(8-13(12)22-10(2)19)14(20)16-17-15(3,4)5/h6-8,17H,1-5H3,(H,16,20)
InChIKeyGVSFXTWXQMJRJE-UHFFFAOYSA-N
MW308.33 g/mol
LogP1.57
Rot. Bonds4

About [2-acetyloxy-4-[(tert-butylamino)carbamoyl]phenyl] acetate

[2-acetyloxy-4-[(tert-butylamino)carbamoyl]phenyl] acetate (PubChem CID 134102316) has the molecular formula C15H20N2O5 and a molecular weight of 308.33 g/mol. Its IUPAC name is [2-acetyloxy-4-[(tert-butylamino)carbamoyl]phenyl] acetate.

Molecular Properties

Compound Name[2-acetyloxy-4-[(tert-butylamino)carbamoyl]phenyl] acetate
PubChem CID134102316
Molecular FormulaC15H20N2O5
Molecular Weight308.33 g/mol
Exact Mass308.14
IUPAC Name[2-acetyloxy-4-[(tert-butylamino)carbamoyl]phenyl] acetate
SMILESCC(=O)Oc1ccc(C(=O)NNC(C)(C)C)cc1OC(C)=O
InChIInChI=1S/C15H20N2O5/c1-9(18)21-12-7-6-11(8-13(12)22-10(2)19)14(20)16-17-15(3,4)5/h6-8,17H,1-5H3,(H,16,20)
InChIKeyGVSFXTWXQMJRJE-UHFFFAOYSA-N
XLogP1.57
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[2-acetyloxy-4-[2,2-dichloro-1-(3,4-diacetyloxyphenyl)ethenyl]phenyl] acetate
CID 20539881
[2-acetyloxy-4-[benzamido(tert-butyl)carbamoyl]phenyl] acetate
CID 134114626
[2-acetyloxy-4-(octylcarbamoyl)phenyl] acetate
CID 14096949
methyl 5-[(tert-butylamino)carbamoyl]-2-methylbenzoate
CID 172839644
N'-tert-butyl-4-fluorobenzohydrazide
CID 15617766
[2-acetyloxy-4-[2-(3,4-diacetyloxyphenyl)propan-2-yl]phenyl] acetate
CID 164830284
[2-acetyloxy-4-[2-(tert-butylamino)acetyl]phenyl] acetate;7-oxabicyclo[4.1.0]hepta-1,3,5-triene
CID 20535427
N'-tert-butyl-4-(trifluoromethyl)benzohydrazide
CID 141237629
6-[(3,4-diacetyloxyphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 19877112
[2-acetyloxy-4-[(2-methylpropan-2-yl)oxy]phenyl] acetate
CID 140675740
[2-fluoro-4-(methylcarbamoyl)phenyl] acetate
CID 165120813
[2-acetyloxy-4-[2-[(3,4-diacetyloxybenzoyl)amino]ethyl]phenyl] acetate;3,4-diacetyloxybenzoic acid;2-(3,4-diacetyloxyphenyl)acetic acid
CID 157170768

Frequently Asked Questions

What is the IUPAC name of [2-acetyloxy-4-[(tert-butylamino)carbamoyl]phenyl] acetate?
The IUPAC name of [2-acetyloxy-4-[(tert-butylamino)carbamoyl]phenyl] acetate (CID 134102316) is [2-acetyloxy-4-[(tert-butylamino)carbamoyl]phenyl] acetate.
What is the SMILES notation for [2-acetyloxy-4-[(tert-butylamino)carbamoyl]phenyl] acetate?
The canonical SMILES for [2-acetyloxy-4-[(tert-butylamino)carbamoyl]phenyl] acetate is CC(=O)Oc1ccc(C(=O)NNC(C)(C)C)cc1OC(C)=O.
What is the InChIKey of [2-acetyloxy-4-[(tert-butylamino)carbamoyl]phenyl] acetate?
The InChIKey is GVSFXTWXQMJRJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O5/c1-9(18)21-12-7-6-11(8-13(12)22-10(2)19)14(20)16-17-15(3,4)5/h6-8,17H,1-5H3,(H,16,20).
What are the key properties of [2-acetyloxy-4-[(tert-butylamino)carbamoyl]phenyl] acetate?
[2-acetyloxy-4-[(tert-butylamino)carbamoyl]phenyl] acetate has a molecular weight of 308.33 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-acetyloxy-4-[(tert-butylamino)carbamoyl]phenyl] acetate is sourced from PubChem (CID 134102316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).