[4-ethyl-3-(phenylmethoxycarbonylamino)phenyl] acetate

C18H19NO4 — CID 67136159

IUPAC[4-ethyl-3-(phenylmethoxycarbonylamino)phenyl] acetate
SMILESCCc1ccc(OC(C)=O)cc1NC(=O)OCc1ccccc1
InChIInChI=1S/C18H19NO4/c1-3-15-9-10-16(23-13(2)20)11-17(15)19-18(21)22-12-14-7-5-4-6-8-14/h4-11H,3,12H2,1-2H3,(H,19,21)
InChIKeyCYKCPCDCADOXJG-UHFFFAOYSA-N
MW313.35 g/mol
LogP3.92
Rot. Bonds5

About [4-ethyl-3-(phenylmethoxycarbonylamino)phenyl] acetate

[4-ethyl-3-(phenylmethoxycarbonylamino)phenyl] acetate (PubChem CID 67136159) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is [4-ethyl-3-(phenylmethoxycarbonylamino)phenyl] acetate.

Molecular Properties

Compound Name[4-ethyl-3-(phenylmethoxycarbonylamino)phenyl] acetate
PubChem CID67136159
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Name[4-ethyl-3-(phenylmethoxycarbonylamino)phenyl] acetate
SMILESCCc1ccc(OC(C)=O)cc1NC(=O)OCc1ccccc1
InChIInChI=1S/C18H19NO4/c1-3-15-9-10-16(23-13(2)20)11-17(15)19-18(21)22-12-14-7-5-4-6-8-14/h4-11H,3,12H2,1-2H3,(H,19,21)
InChIKeyCYKCPCDCADOXJG-UHFFFAOYSA-N
XLogP3.92
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [4-ethyl-3-(phenylmethoxycarbonylamino)phenyl] acetate 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

benzyl N-(2-ethyl-5-methylphenyl)carbamate
CID 174585145
[2-ethyl-3-(phenylmethoxycarbonylamino)phenyl] acetate
CID 67136158
4-[5-butanoyloxy-2-(phenylmethoxycarbonylamino)phenyl]butanoic acid
CID 69020148
[3-[2,6-dimethyl-4-(phenylmethoxycarbonylamino)phenyl]phenyl] acetate
CID 174743696
ethyl 2-(2-acetamido-4-phenylmethoxyphenyl)acetate
CID 86073966
benzyl N-(3-methoxynaphthalen-1-yl)carbamate
CID 23023062
benzyl 4-acetyloxybenzoate
CID 734064
benzyl 3-acetyloxybenzoate
CID 11334719
benzyl N-(2-bromo-5-methylphenyl)carbamate
CID 130581055
benzyl N-(2-bromophenyl)carbamate
CID 4935706
benzyl N-(2-iodophenyl)carbamate
CID 10959121
(3-methyl-4-phenylmethoxyphenyl) acetate
CID 129245175

Frequently Asked Questions

What is the IUPAC name of [4-ethyl-3-(phenylmethoxycarbonylamino)phenyl] acetate?
The IUPAC name of [4-ethyl-3-(phenylmethoxycarbonylamino)phenyl] acetate (CID 67136159) is [4-ethyl-3-(phenylmethoxycarbonylamino)phenyl] acetate.
What is the SMILES notation for [4-ethyl-3-(phenylmethoxycarbonylamino)phenyl] acetate?
The canonical SMILES for [4-ethyl-3-(phenylmethoxycarbonylamino)phenyl] acetate is CCc1ccc(OC(C)=O)cc1NC(=O)OCc1ccccc1.
What is the InChIKey of [4-ethyl-3-(phenylmethoxycarbonylamino)phenyl] acetate?
The InChIKey is CYKCPCDCADOXJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4/c1-3-15-9-10-16(23-13(2)20)11-17(15)19-18(21)22-12-14-7-5-4-6-8-14/h4-11H,3,12H2,1-2H3,(H,19,21).
What are the key properties of [4-ethyl-3-(phenylmethoxycarbonylamino)phenyl] acetate?
[4-ethyl-3-(phenylmethoxycarbonylamino)phenyl] acetate has a molecular weight of 313.35 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-ethyl-3-(phenylmethoxycarbonylamino)phenyl] acetate is sourced from PubChem (CID 67136159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).