5-[[4-(2-methoxyethoxy)anilino]methyl]furan-2-carboxylic acid

C15H17NO5 — CID 63317279

IUPAC5-[[4-(2-methoxyethoxy)anilino]methyl]furan-2-carboxylic acid
SMILESCOCCOc1ccc(NCc2ccc(C(=O)O)o2)cc1
InChIInChI=1S/C15H17NO5/c1-19-8-9-20-12-4-2-11(3-5-12)16-10-13-6-7-14(21-13)15(17)18/h2-7,16H,8-10H2,1H3,(H,17,18)
InChIKeyYGMVKDOZMJREOG-UHFFFAOYSA-N
MW291.30 g/mol
LogP2.62
Rot. Bonds8

About 5-[[4-(2-methoxyethoxy)anilino]methyl]furan-2-carboxylic acid

5-[[4-(2-methoxyethoxy)anilino]methyl]furan-2-carboxylic acid (PubChem CID 63317279) has the molecular formula C15H17NO5 and a molecular weight of 291.30 g/mol. Its IUPAC name is 5-[[4-(2-methoxyethoxy)anilino]methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[[4-(2-methoxyethoxy)anilino]methyl]furan-2-carboxylic acid
PubChem CID63317279
Molecular FormulaC15H17NO5
Molecular Weight291.30 g/mol
Exact Mass291.11
IUPAC Name5-[[4-(2-methoxyethoxy)anilino]methyl]furan-2-carboxylic acid
SMILESCOCCOc1ccc(NCc2ccc(C(=O)O)o2)cc1
InChIInChI=1S/C15H17NO5/c1-19-8-9-20-12-4-2-11(3-5-12)16-10-13-6-7-14(21-13)15(17)18/h2-7,16H,8-10H2,1H3,(H,17,18)
InChIKeyYGMVKDOZMJREOG-UHFFFAOYSA-N
XLogP2.62
TPSA80.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[5-[[4-(2-methoxyethoxy)anilino]methyl]furan-2-yl]methanol
CID 64578423
5-[(4-propan-2-yloxyanilino)methyl]furan-2-carboxylic acid
CID 63316777
5-[(4-benzylanilino)methyl]furan-2-carboxylic acid
CID 10018085
4-(2-methoxyethoxy)-N-[(4-methoxyphenyl)methyl]aniline
CID 43734131
N-[[4-(2-methoxyethoxy)phenyl]methyl]-4-phenylmethoxyaniline
CID 54799476
5-[[(6-bromo-3-pyridinyl)amino]methyl]furan-2-carboxylic acid
CID 114051655
5-[(3-chloro-4-propoxyanilino)methyl]furan-2-carboxylic acid
CID 63317381
[5-[[4-[2-(dimethylamino)ethoxy]anilino]methyl]furan-2-yl]methanol
CID 64591781
5-[(4-bromo-3,5-dimethylanilino)methyl]furan-2-carboxylic acid
CID 107572270
5-(anilinomethyl)-N-[(Z)-(4-methoxyphenyl)methylideneamino]furan-2-carboxamide
CID 5424653
5-[(thiophen-3-ylamino)methyl]furan-2-carboxylic acid
CID 66350799
5-[[4-[(4-methylphenyl)carbamoyl]phenoxy]methyl]furan-2-carboxylic acid
CID 22684918

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(2-methoxyethoxy)anilino]methyl]furan-2-carboxylic acid?
The IUPAC name of 5-[[4-(2-methoxyethoxy)anilino]methyl]furan-2-carboxylic acid (CID 63317279) is 5-[[4-(2-methoxyethoxy)anilino]methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[[4-(2-methoxyethoxy)anilino]methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[[4-(2-methoxyethoxy)anilino]methyl]furan-2-carboxylic acid is COCCOc1ccc(NCc2ccc(C(=O)O)o2)cc1.
What is the InChIKey of 5-[[4-(2-methoxyethoxy)anilino]methyl]furan-2-carboxylic acid?
The InChIKey is YGMVKDOZMJREOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO5/c1-19-8-9-20-12-4-2-11(3-5-12)16-10-13-6-7-14(21-13)15(17)18/h2-7,16H,8-10H2,1H3,(H,17,18).
What are the key properties of 5-[[4-(2-methoxyethoxy)anilino]methyl]furan-2-carboxylic acid?
5-[[4-(2-methoxyethoxy)anilino]methyl]furan-2-carboxylic acid has a molecular weight of 291.30 g/mol, XLogP of 2.62, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(2-methoxyethoxy)anilino]methyl]furan-2-carboxylic acid is sourced from PubChem (CID 63317279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).