ethyl 4-amino-3-phenylmethoxybenzoate

C16H17NO3 — CID 79021529

IUPACethyl 4-amino-3-phenylmethoxybenzoate
SMILESCCOC(=O)c1ccc(N)c(OCc2ccccc2)c1
InChIInChI=1S/C16H17NO3/c1-2-19-16(18)13-8-9-14(17)15(10-13)20-11-12-6-4-3-5-7-12/h3-10H,2,11,17H2,1H3
InChIKeyZZJSTWYGTITXMW-UHFFFAOYSA-N
MW271.32 g/mol
LogP3.02
Rot. Bonds5

About ethyl 4-amino-3-phenylmethoxybenzoate

ethyl 4-amino-3-phenylmethoxybenzoate (PubChem CID 79021529) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is ethyl 4-amino-3-phenylmethoxybenzoate.

Molecular Properties

Compound Nameethyl 4-amino-3-phenylmethoxybenzoate
PubChem CID79021529
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Nameethyl 4-amino-3-phenylmethoxybenzoate
SMILESCCOC(=O)c1ccc(N)c(OCc2ccccc2)c1
InChIInChI=1S/C16H17NO3/c1-2-19-16(18)13-8-9-14(17)15(10-13)20-11-12-6-4-3-5-7-12/h3-10H,2,11,17H2,1H3
InChIKeyZZJSTWYGTITXMW-UHFFFAOYSA-N
XLogP3.02
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-ethoxycarbonyl-2-phenylmethoxybenzoic acid
CID 175330974
ethyl 3-bromo-4-phenylmethoxybenzoate
CID 54793242
ethyl 4-amino-3-[(2-fluorophenyl)methoxy]benzoate
CID 82778634
ethyl 3,4-dihydroxybenzoate;ethyl 3-hydroxy-4-phenylmethoxybenzoate;methane
CID 158916697
ethyl 3-amino-4-[(4-methylphenyl)methoxy]benzoate
CID 82057337
benzyl 3-methyl-4-phenylmethoxybenzoate
CID 123221197
4-ethoxycarbonyl-2,5-bis(phenylmethoxy)benzoic acid
CID 156760748
4-amino-3-phenylmethoxy-N-propan-2-ylbenzamide
CID 82069733
ethyl 4-phenylmethoxynaphthalene-2-carboxylate
CID 22127020
diethyl 5-phenylmethoxybenzene-1,3-dicarboxylate
CID 11393300
methyl 4-amino-3-[(3-methylphenyl)methoxy]benzoate
CID 43380191
ethyl 3-amino-4-[(3-fluorophenyl)methoxy]benzoate
CID 82057348

Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-3-phenylmethoxybenzoate?
The IUPAC name of ethyl 4-amino-3-phenylmethoxybenzoate (CID 79021529) is ethyl 4-amino-3-phenylmethoxybenzoate.
What is the SMILES notation for ethyl 4-amino-3-phenylmethoxybenzoate?
The canonical SMILES for ethyl 4-amino-3-phenylmethoxybenzoate is CCOC(=O)c1ccc(N)c(OCc2ccccc2)c1.
What is the InChIKey of ethyl 4-amino-3-phenylmethoxybenzoate?
The InChIKey is ZZJSTWYGTITXMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-2-19-16(18)13-8-9-14(17)15(10-13)20-11-12-6-4-3-5-7-12/h3-10H,2,11,17H2,1H3.
What are the key properties of ethyl 4-amino-3-phenylmethoxybenzoate?
ethyl 4-amino-3-phenylmethoxybenzoate has a molecular weight of 271.32 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-3-phenylmethoxybenzoate is sourced from PubChem (CID 79021529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).