2-(4-acetylphenoxy)ethylcarbamic acid

C11H13NO4 — CID 69331429

IUPAC2-(4-acetylphenoxy)ethylcarbamic acid
SMILESCC(=O)c1ccc(OCCNC(=O)O)cc1
InChIInChI=1S/C11H13NO4/c1-8(13)9-2-4-10(5-3-9)16-7-6-12-11(14)15/h2-5,12H,6-7H2,1H3,(H,14,15)
InChIKeyUKJZFOVNYNUWRY-UHFFFAOYSA-N
MW223.23 g/mol
LogP1.54
Rot. Bonds5

About 2-(4-acetylphenoxy)ethylcarbamic acid

2-(4-acetylphenoxy)ethylcarbamic acid (PubChem CID 69331429) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is 2-(4-acetylphenoxy)ethylcarbamic acid.

Molecular Properties

Compound Name2-(4-acetylphenoxy)ethylcarbamic acid
PubChem CID69331429
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Name2-(4-acetylphenoxy)ethylcarbamic acid
SMILESCC(=O)c1ccc(OCCNC(=O)O)cc1
InChIInChI=1S/C11H13NO4/c1-8(13)9-2-4-10(5-3-9)16-7-6-12-11(14)15/h2-5,12H,6-7H2,1H3,(H,14,15)
InChIKeyUKJZFOVNYNUWRY-UHFFFAOYSA-N
XLogP1.54
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-carbamoylphenoxy)ethylcarbamic acid
CID 18523671
2-[4-(acetyloxymethyl)phenoxy]ethylcarbamic acid
CID 56998010
methyl 4-(2-acetamidoethoxy)benzoate
CID 3104610
3-(4-aminophenoxy)propylcarbamic acid
CID 22640978
1-[4-[3-(4-fluorophenoxy)propylamino]phenyl]ethanone
CID 78820464
1-[4-[3-(iodoiodanuidylmethylamino)propoxy]phenyl]ethanone
CID 156719620
1-[4-[2-(4-chlorophenoxy)ethylamino]phenyl]ethanone
CID 82095847
1-[4-[2-[(4-acetylphenoxy)methoxy]ethoxy]phenyl]ethanone
CID 20752101
4-(4-acetylphenoxy)-N-(3-aminopropyl)butanamide
CID 119405386
2-(4-acetylphenoxy)ethylboronic acid
CID 130141835
1-[4-[4-(4-propoxyphenyl)phenyl]phenyl]ethanone
CID 59457885
3-[(4-acetylbenzoyl)amino]propylcarbamic acid
CID 130234189

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylphenoxy)ethylcarbamic acid?
The IUPAC name of 2-(4-acetylphenoxy)ethylcarbamic acid (CID 69331429) is 2-(4-acetylphenoxy)ethylcarbamic acid.
What is the SMILES notation for 2-(4-acetylphenoxy)ethylcarbamic acid?
The canonical SMILES for 2-(4-acetylphenoxy)ethylcarbamic acid is CC(=O)c1ccc(OCCNC(=O)O)cc1.
What is the InChIKey of 2-(4-acetylphenoxy)ethylcarbamic acid?
The InChIKey is UKJZFOVNYNUWRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4/c1-8(13)9-2-4-10(5-3-9)16-7-6-12-11(14)15/h2-5,12H,6-7H2,1H3,(H,14,15).
What are the key properties of 2-(4-acetylphenoxy)ethylcarbamic acid?
2-(4-acetylphenoxy)ethylcarbamic acid has a molecular weight of 223.23 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylphenoxy)ethylcarbamic acid is sourced from PubChem (CID 69331429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).