ethyl 3-amino-4-(furan-2-ylmethoxy)benzoate

C14H15NO4 — CID 61312680

IUPACethyl 3-amino-4-(furan-2-ylmethoxy)benzoate
SMILESCCOC(=O)c1ccc(OCc2ccco2)c(N)c1
InChIInChI=1S/C14H15NO4/c1-2-17-14(16)10-5-6-13(12(15)8-10)19-9-11-4-3-7-18-11/h3-8H,2,9,15H2,1H3
InChIKeyGUJNGIQUUFDNGL-UHFFFAOYSA-N
MW261.28 g/mol
LogP2.62
Rot. Bonds5

About ethyl 3-amino-4-(furan-2-ylmethoxy)benzoate

ethyl 3-amino-4-(furan-2-ylmethoxy)benzoate (PubChem CID 61312680) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is ethyl 3-amino-4-(furan-2-ylmethoxy)benzoate.

Molecular Properties

Compound Nameethyl 3-amino-4-(furan-2-ylmethoxy)benzoate
PubChem CID61312680
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC Nameethyl 3-amino-4-(furan-2-ylmethoxy)benzoate
SMILESCCOC(=O)c1ccc(OCc2ccco2)c(N)c1
InChIInChI=1S/C14H15NO4/c1-2-17-14(16)10-5-6-13(12(15)8-10)19-9-11-4-3-7-18-11/h3-8H,2,9,15H2,1H3
InChIKeyGUJNGIQUUFDNGL-UHFFFAOYSA-N
XLogP2.62
TPSA74.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-ethyl-4-(furan-2-ylmethoxy)benzamide
CID 82999492
ethyl 3-amino-4-[(4-methylphenyl)methoxy]benzoate
CID 82057337
ethyl 3-amino-4-(2-ethoxyethoxy)benzoate
CID 61306324
ethyl 3-amino-4-[(3-fluorophenyl)methoxy]benzoate
CID 82057348
ethyl 3-amino-4-prop-2-enoxybenzoate
CID 82057340
ethyl 3-amino-4-(2,2-difluoroethoxy)benzoate
CID 82006549
ethyl 3-amino-4-(2-cyclopropylethoxy)benzoate
CID 114157704
3-amino-4-ethoxy-N-[1-(furan-2-yl)propan-2-yl]benzamide
CID 61126328
ethyl 4-amino-3-phenylmethoxybenzoate
CID 79021529
propyl 3-amino-4-[(4-methylphenyl)methoxy]benzoate
CID 82057351
ethyl 3,4-diethoxybenzoate
CID 586407
ethyl 3-amino-4-(3,5-dimethylphenoxy)benzoate
CID 63423547

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-4-(furan-2-ylmethoxy)benzoate?
The IUPAC name of ethyl 3-amino-4-(furan-2-ylmethoxy)benzoate (CID 61312680) is ethyl 3-amino-4-(furan-2-ylmethoxy)benzoate.
What is the SMILES notation for ethyl 3-amino-4-(furan-2-ylmethoxy)benzoate?
The canonical SMILES for ethyl 3-amino-4-(furan-2-ylmethoxy)benzoate is CCOC(=O)c1ccc(OCc2ccco2)c(N)c1.
What is the InChIKey of ethyl 3-amino-4-(furan-2-ylmethoxy)benzoate?
The InChIKey is GUJNGIQUUFDNGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4/c1-2-17-14(16)10-5-6-13(12(15)8-10)19-9-11-4-3-7-18-11/h3-8H,2,9,15H2,1H3.
What are the key properties of ethyl 3-amino-4-(furan-2-ylmethoxy)benzoate?
ethyl 3-amino-4-(furan-2-ylmethoxy)benzoate has a molecular weight of 261.28 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-4-(furan-2-ylmethoxy)benzoate is sourced from PubChem (CID 61312680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).