ethyl 5-(5-amino-2-methoxyphenyl)furan-2-carboxylate

C14H15NO4 — CID 95911230

IUPACethyl 5-(5-amino-2-methoxyphenyl)furan-2-carboxylate
SMILESCCOC(=O)c1ccc(-c2cc(N)ccc2OC)o1
InChIInChI=1S/C14H15NO4/c1-3-18-14(16)13-7-6-12(19-13)10-8-9(15)4-5-11(10)17-2/h4-8H,3,15H2,1-2H3
InChIKeyYIEJJMZSQSKXJX-UHFFFAOYSA-N
MW261.28 g/mol
LogP2.71
Rot. Bonds4

About ethyl 5-(5-amino-2-methoxyphenyl)furan-2-carboxylate

ethyl 5-(5-amino-2-methoxyphenyl)furan-2-carboxylate (PubChem CID 95911230) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is ethyl 5-(5-amino-2-methoxyphenyl)furan-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-(5-amino-2-methoxyphenyl)furan-2-carboxylate
PubChem CID95911230
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC Nameethyl 5-(5-amino-2-methoxyphenyl)furan-2-carboxylate
SMILESCCOC(=O)c1ccc(-c2cc(N)ccc2OC)o1
InChIInChI=1S/C14H15NO4/c1-3-18-14(16)13-7-6-12(19-13)10-8-9(15)4-5-11(10)17-2/h4-8H,3,15H2,1-2H3
InChIKeyYIEJJMZSQSKXJX-UHFFFAOYSA-N
XLogP2.71
TPSA74.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl 5-(5-amino-2-methoxyphenyl)furan-2-carboxylate 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

ethyl 5-amino-2-methoxybenzoate
CID 22180184
methyl 5-(5-amino-2-chlorophenyl)furan-2-carboxylate
CID 16762246
methyl 5-(4-amino-2-chlorophenyl)furan-2-carboxylate
CID 7175940
ethyl 5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxylate
CID 154791670
ethyl 5-(hydroxymethyl)-2-methoxybenzoate
CID 131750236
ethyl 5-(2-methoxy-5-methylphenyl)-1,3,4-oxadiazole-2-carboxylate
CID 112619183
ethyl 5-[(5-formyl-2-methoxyphenoxy)methyl]furan-2-carboxylate
CID 28913576
3-(2,5-dimethylfuran-3-yl)-4-methoxyaniline
CID 61318608
ethyl 5-(2-ethoxy-2-oxoacetyl)furan-2-carboxylate
CID 146010161
ethyl 2-[(4-aminophenyl)methoxycarbonylamino]-4,5-dimethoxybenzoate
CID 11014212
ethyl 5-[2,6-dichloro-4-(trifluoromethyl)phenyl]furan-2-carboxylate
CID 170872080
ethyl 5-(2,2-dimethylpropyl)furan-2-carboxylate
CID 59637083

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(5-amino-2-methoxyphenyl)furan-2-carboxylate?
The IUPAC name of ethyl 5-(5-amino-2-methoxyphenyl)furan-2-carboxylate (CID 95911230) is ethyl 5-(5-amino-2-methoxyphenyl)furan-2-carboxylate.
What is the SMILES notation for ethyl 5-(5-amino-2-methoxyphenyl)furan-2-carboxylate?
The canonical SMILES for ethyl 5-(5-amino-2-methoxyphenyl)furan-2-carboxylate is CCOC(=O)c1ccc(-c2cc(N)ccc2OC)o1.
What is the InChIKey of ethyl 5-(5-amino-2-methoxyphenyl)furan-2-carboxylate?
The InChIKey is YIEJJMZSQSKXJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4/c1-3-18-14(16)13-7-6-12(19-13)10-8-9(15)4-5-11(10)17-2/h4-8H,3,15H2,1-2H3.
What are the key properties of ethyl 5-(5-amino-2-methoxyphenyl)furan-2-carboxylate?
ethyl 5-(5-amino-2-methoxyphenyl)furan-2-carboxylate has a molecular weight of 261.28 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(5-amino-2-methoxyphenyl)furan-2-carboxylate is sourced from PubChem (CID 95911230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).