5-[(5-carbamoyl-2-methoxyanilino)methyl]furan-3-carboxylic acid

C14H14N2O5 — CID 104608517

IUPAC5-[(5-carbamoyl-2-methoxyanilino)methyl]furan-3-carboxylic acid
SMILESCOc1ccc(C(N)=O)cc1NCc1cc(C(=O)O)co1
InChIInChI=1S/C14H14N2O5/c1-20-12-3-2-8(13(15)17)5-11(12)16-6-10-4-9(7-21-10)14(18)19/h2-5,7,16H,6H2,1H3,(H2,15,17)(H,18,19)
InChIKeyCNMDKXRXFVWQTR-UHFFFAOYSA-N
MW290.28 g/mol
LogP1.70
Rot. Bonds6

About 5-[(5-carbamoyl-2-methoxyanilino)methyl]furan-3-carboxylic acid

5-[(5-carbamoyl-2-methoxyanilino)methyl]furan-3-carboxylic acid (PubChem CID 104608517) has the molecular formula C14H14N2O5 and a molecular weight of 290.28 g/mol. Its IUPAC name is 5-[(5-carbamoyl-2-methoxyanilino)methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name5-[(5-carbamoyl-2-methoxyanilino)methyl]furan-3-carboxylic acid
PubChem CID104608517
Molecular FormulaC14H14N2O5
Molecular Weight290.28 g/mol
Exact Mass290.09
IUPAC Name5-[(5-carbamoyl-2-methoxyanilino)methyl]furan-3-carboxylic acid
SMILESCOc1ccc(C(N)=O)cc1NCc1cc(C(=O)O)co1
InChIInChI=1S/C14H14N2O5/c1-20-12-3-2-8(13(15)17)5-11(12)16-6-10-4-9(7-21-10)14(18)19/h2-5,7,16H,6H2,1H3,(H2,15,17)(H,18,19)
InChIKeyCNMDKXRXFVWQTR-UHFFFAOYSA-N
XLogP1.70
TPSA114.79 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-(furan-2-ylmethylamino)-4-methoxybenzamide
CID 43735328
5-[(2-methoxy-4-methylanilino)methyl]furan-3-carboxylic acid
CID 104608703
3-[(5-ethylfuran-2-yl)methylamino]-4-methoxybenzoic acid
CID 63742283
3-[(3-aminothiophen-2-yl)methylamino]-4-methoxybenzamide
CID 66386759
3-[(5-iodofuran-2-yl)methylamino]-4-methoxybenzoic acid
CID 63742467
4-methoxy-3-[(5-methoxy-1-benzofuran-2-yl)methylamino]benzamide
CID 75436007
5-[(2-methoxycarbonylanilino)methyl]furan-3-carboxylic acid
CID 104608185
4-methoxy-3-(prop-2-ynylamino)benzamide
CID 63952284
5-[(4-methoxy-3-nitroanilino)methyl]furan-3-carboxylic acid
CID 104609314
5-[(5-chloro-2-propoxyanilino)methyl]furan-3-carboxylic acid
CID 104608688
4-methoxy-3-[(5-nitrofuran-2-yl)methylamino]benzoic acid
CID 63744142
5-[[2-(2-amino-2-oxoethyl)anilino]methyl]furan-3-carboxylic acid
CID 104608536

Frequently Asked Questions

What is the IUPAC name of 5-[(5-carbamoyl-2-methoxyanilino)methyl]furan-3-carboxylic acid?
The IUPAC name of 5-[(5-carbamoyl-2-methoxyanilino)methyl]furan-3-carboxylic acid (CID 104608517) is 5-[(5-carbamoyl-2-methoxyanilino)methyl]furan-3-carboxylic acid.
What is the SMILES notation for 5-[(5-carbamoyl-2-methoxyanilino)methyl]furan-3-carboxylic acid?
The canonical SMILES for 5-[(5-carbamoyl-2-methoxyanilino)methyl]furan-3-carboxylic acid is COc1ccc(C(N)=O)cc1NCc1cc(C(=O)O)co1.
What is the InChIKey of 5-[(5-carbamoyl-2-methoxyanilino)methyl]furan-3-carboxylic acid?
The InChIKey is CNMDKXRXFVWQTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O5/c1-20-12-3-2-8(13(15)17)5-11(12)16-6-10-4-9(7-21-10)14(18)19/h2-5,7,16H,6H2,1H3,(H2,15,17)(H,18,19).
What are the key properties of 5-[(5-carbamoyl-2-methoxyanilino)methyl]furan-3-carboxylic acid?
5-[(5-carbamoyl-2-methoxyanilino)methyl]furan-3-carboxylic acid has a molecular weight of 290.28 g/mol, XLogP of 1.70, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-carbamoyl-2-methoxyanilino)methyl]furan-3-carboxylic acid is sourced from PubChem (CID 104608517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).