[3-[1-(4-ethylphenyl)ethylcarbamoylamino]phenyl] acetate

C19H22N2O3 — CID 108865137

IUPAC[3-[1-(4-ethylphenyl)ethylcarbamoylamino]phenyl] acetate
SMILESCCc1ccc(C(C)NC(=O)Nc2cccc(OC(C)=O)c2)cc1
InChIInChI=1S/C19H22N2O3/c1-4-15-8-10-16(11-9-15)13(2)20-19(23)21-17-6-5-7-18(12-17)24-14(3)22/h5-13H,4H2,1-3H3,(H2,20,21,23)
InChIKeyZJCVCLLXMIADIX-UHFFFAOYSA-N
MW326.40 g/mol
LogP4.06
Rot. Bonds5

About [3-[1-(4-ethylphenyl)ethylcarbamoylamino]phenyl] acetate

[3-[1-(4-ethylphenyl)ethylcarbamoylamino]phenyl] acetate (PubChem CID 108865137) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is [3-[1-(4-ethylphenyl)ethylcarbamoylamino]phenyl] acetate.

Molecular Properties

Compound Name[3-[1-(4-ethylphenyl)ethylcarbamoylamino]phenyl] acetate
PubChem CID108865137
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name[3-[1-(4-ethylphenyl)ethylcarbamoylamino]phenyl] acetate
SMILESCCc1ccc(C(C)NC(=O)Nc2cccc(OC(C)=O)c2)cc1
InChIInChI=1S/C19H22N2O3/c1-4-15-8-10-16(11-9-15)13(2)20-19(23)21-17-6-5-7-18(12-17)24-14(3)22/h5-13H,4H2,1-3H3,(H2,20,21,23)
InChIKeyZJCVCLLXMIADIX-UHFFFAOYSA-N
XLogP4.06
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[3-(benzhydrylcarbamoylamino)phenyl] acetate
CID 108865115
2-[(3-acetyloxyphenyl)carbamoylamino]-4-methylpentanoic acid
CID 108865131
1-[(1S)-1-phenylethyl]-3-[3-[[2,4,6-triethyl-3,5-bis[[3-[[(1S)-1-phenylethyl]carbamoylamino]phenoxy]methyl]phenyl]methoxy]phenyl]urea
CID 102490935
1-[1-(4-tert-butylphenyl)ethyl]-3-(3-methoxyphenyl)urea
CID 133204286
1-[(1R)-1-(4-ethylphenyl)ethyl]-3-(3-morpholin-4-ylsulfonylphenyl)urea
CID 51944299
1-[1-(4-ethylphenyl)ethyl]-3-(3,4,5-triethoxyphenyl)urea
CID 108869694
1-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-3-(4-ethylphenyl)urea
CID 26871510
[3-[(4-ethoxyphenyl)carbamoylamino]phenyl] acetate
CID 108865154
[3-(2-acetamidoethylcarbamoylamino)phenyl] acetate
CID 108865308
1-(3-ethoxyphenyl)-3-(4-ethylphenyl)urea
CID 11536518
[3-[(3-fluorophenyl)methylcarbamoylamino]phenyl] acetate
CID 108865379
1-(2-chloro-6-fluorophenyl)-3-[1-(4-ethylphenyl)ethyl]urea
CID 108896439

Frequently Asked Questions

What is the IUPAC name of [3-[1-(4-ethylphenyl)ethylcarbamoylamino]phenyl] acetate?
The IUPAC name of [3-[1-(4-ethylphenyl)ethylcarbamoylamino]phenyl] acetate (CID 108865137) is [3-[1-(4-ethylphenyl)ethylcarbamoylamino]phenyl] acetate.
What is the SMILES notation for [3-[1-(4-ethylphenyl)ethylcarbamoylamino]phenyl] acetate?
The canonical SMILES for [3-[1-(4-ethylphenyl)ethylcarbamoylamino]phenyl] acetate is CCc1ccc(C(C)NC(=O)Nc2cccc(OC(C)=O)c2)cc1.
What is the InChIKey of [3-[1-(4-ethylphenyl)ethylcarbamoylamino]phenyl] acetate?
The InChIKey is ZJCVCLLXMIADIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-4-15-8-10-16(11-9-15)13(2)20-19(23)21-17-6-5-7-18(12-17)24-14(3)22/h5-13H,4H2,1-3H3,(H2,20,21,23).
What are the key properties of [3-[1-(4-ethylphenyl)ethylcarbamoylamino]phenyl] acetate?
[3-[1-(4-ethylphenyl)ethylcarbamoylamino]phenyl] acetate has a molecular weight of 326.40 g/mol, XLogP of 4.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[1-(4-ethylphenyl)ethylcarbamoylamino]phenyl] acetate is sourced from PubChem (CID 108865137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).