3-[(N-ethyl-5-hydroxy-2-methylanilino)methyl]furan-2-carboxylic acid

C15H17NO4 — CID 107736634

IUPAC3-[(N-ethyl-5-hydroxy-2-methylanilino)methyl]furan-2-carboxylic acid
SMILESCCN(Cc1ccoc1C(=O)O)c1cc(O)ccc1C
InChIInChI=1S/C15H17NO4/c1-3-16(13-8-12(17)5-4-10(13)2)9-11-6-7-20-14(11)15(18)19/h4-8,17H,3,9H2,1-2H3,(H,18,19)
InChIKeyMWXNPFBSWORBOB-UHFFFAOYSA-N
MW275.30 g/mol
LogP3.02
Rot. Bonds5

About 3-[(N-ethyl-5-hydroxy-2-methylanilino)methyl]furan-2-carboxylic acid

3-[(N-ethyl-5-hydroxy-2-methylanilino)methyl]furan-2-carboxylic acid (PubChem CID 107736634) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is 3-[(N-ethyl-5-hydroxy-2-methylanilino)methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name3-[(N-ethyl-5-hydroxy-2-methylanilino)methyl]furan-2-carboxylic acid
PubChem CID107736634
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Name3-[(N-ethyl-5-hydroxy-2-methylanilino)methyl]furan-2-carboxylic acid
SMILESCCN(Cc1ccoc1C(=O)O)c1cc(O)ccc1C
InChIInChI=1S/C15H17NO4/c1-3-16(13-8-12(17)5-4-10(13)2)9-11-6-7-20-14(11)15(18)19/h4-8,17H,3,9H2,1-2H3,(H,18,19)
InChIKeyMWXNPFBSWORBOB-UHFFFAOYSA-N
XLogP3.02
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(N-ethyl-5-hydroxy-2-methylanilino)methyl]benzoic acid
CID 107736656
methyl 3-[(N-ethyl-2-methylanilino)methyl]furan-2-carboxylate
CID 78902588
5-[(N-ethyl-5-hydroxy-2-methylanilino)methyl]-1-methylpyrazole-4-carboxylic acid
CID 107736645
(E)-4-(N-ethyl-5-hydroxy-2-methylanilino)but-2-enoic acid
CID 107736669
3-[[ethyl(2-methylpropyl)amino]methyl]furan-2-carboxylic acid
CID 43273897
N-ethyl-N-(5-hydroxy-2-methylphenyl)-2-methylfuran-3-carboxamide
CID 28740049
3-[(4-bromo-2,6-dimethylanilino)methyl]furan-2-carboxylic acid
CID 103235408
(N-ethyl-5-hydroxy-2-methylanilino)methyl-trifluoroboranuide
CID 107737617
3-[[methyl(2-methylbutan-2-yl)amino]methyl]furan-2-carboxylic acid
CID 63964404
methyl (Z)-4-(N-ethyl-5-hydroxy-2-methylanilino)-2-methylbut-2-enoate
CID 107736652
3-[(3,4-dimethylphenyl)sulfonylmethyl]furan-2-carboxylic acid
CID 43153115
3-[ethyl-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]amino]-4-methylphenol
CID 126824354

Frequently Asked Questions

What is the IUPAC name of 3-[(N-ethyl-5-hydroxy-2-methylanilino)methyl]furan-2-carboxylic acid?
The IUPAC name of 3-[(N-ethyl-5-hydroxy-2-methylanilino)methyl]furan-2-carboxylic acid (CID 107736634) is 3-[(N-ethyl-5-hydroxy-2-methylanilino)methyl]furan-2-carboxylic acid.
What is the SMILES notation for 3-[(N-ethyl-5-hydroxy-2-methylanilino)methyl]furan-2-carboxylic acid?
The canonical SMILES for 3-[(N-ethyl-5-hydroxy-2-methylanilino)methyl]furan-2-carboxylic acid is CCN(Cc1ccoc1C(=O)O)c1cc(O)ccc1C.
What is the InChIKey of 3-[(N-ethyl-5-hydroxy-2-methylanilino)methyl]furan-2-carboxylic acid?
The InChIKey is MWXNPFBSWORBOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c1-3-16(13-8-12(17)5-4-10(13)2)9-11-6-7-20-14(11)15(18)19/h4-8,17H,3,9H2,1-2H3,(H,18,19).
What are the key properties of 3-[(N-ethyl-5-hydroxy-2-methylanilino)methyl]furan-2-carboxylic acid?
3-[(N-ethyl-5-hydroxy-2-methylanilino)methyl]furan-2-carboxylic acid has a molecular weight of 275.30 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(N-ethyl-5-hydroxy-2-methylanilino)methyl]furan-2-carboxylic acid is sourced from PubChem (CID 107736634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).