5-[(4-methoxyphenyl)-methylcarbamoyl]furan-3-carboxylic acid

C14H13NO5 — CID 104607461

IUPAC5-[(4-methoxyphenyl)-methylcarbamoyl]furan-3-carboxylic acid
SMILESCOc1ccc(N(C)C(=O)c2cc(C(=O)O)co2)cc1
InChIInChI=1S/C14H13NO5/c1-15(10-3-5-11(19-2)6-4-10)13(16)12-7-9(8-20-12)14(17)18/h3-8H,1-2H3,(H,17,18)
InChIKeyJVSLGTIDIBWVEI-UHFFFAOYSA-N
MW275.26 g/mol
LogP2.26
Rot. Bonds4

About 5-[(4-methoxyphenyl)-methylcarbamoyl]furan-3-carboxylic acid

5-[(4-methoxyphenyl)-methylcarbamoyl]furan-3-carboxylic acid (PubChem CID 104607461) has the molecular formula C14H13NO5 and a molecular weight of 275.26 g/mol. Its IUPAC name is 5-[(4-methoxyphenyl)-methylcarbamoyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name5-[(4-methoxyphenyl)-methylcarbamoyl]furan-3-carboxylic acid
PubChem CID104607461
Molecular FormulaC14H13NO5
Molecular Weight275.26 g/mol
Exact Mass275.08
IUPAC Name5-[(4-methoxyphenyl)-methylcarbamoyl]furan-3-carboxylic acid
SMILESCOc1ccc(N(C)C(=O)c2cc(C(=O)O)co2)cc1
InChIInChI=1S/C14H13NO5/c1-15(10-3-5-11(19-2)6-4-10)13(16)12-7-9(8-20-12)14(17)18/h3-8H,1-2H3,(H,17,18)
InChIKeyJVSLGTIDIBWVEI-UHFFFAOYSA-N
XLogP2.26
TPSA79.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methoxyphenyl)-methylcarbamic acid
CID 22047987
5-[[3-(4-methoxyphenyl)-2-methylpropyl]carbamoyl]furan-3-carboxylic acid
CID 120551585
5-[bis(2-methoxyethyl)carbamoyl]furan-3-carboxylic acid
CID 113432257
5-[[1-methoxy-1-(4-methoxyphenyl)propan-2-yl]carbamoyl]furan-3-carboxylic acid
CID 120552499
azane;5-[(4-methoxyphenoxy)methyl]furan-3-carboxylic acid
CID 131666805
3-bromo-4-methoxy-N-(4-methoxyphenyl)-N-methylbenzamide
CID 62001887
3-[(4-methoxybenzoyl)amino]-N-methyl-N-phenylbenzamide
CID 17227750
4-[(4-methoxyphenyl)methyl-methylamino]benzoic acid
CID 39369991
3-bromo-4-fluoro-N-(4-methoxyphenyl)-N-methylbenzamide
CID 107952297
5-[ethyl(2-methoxyethyl)carbamoyl]furan-3-carboxylic acid
CID 104607286
4-methoxy-N'-(4-methoxybenzoyl)-N,N'-dimethylbenzohydrazide
CID 14949074
4-[methyl(naphthalene-2-carbonyl)amino]benzoic acid
CID 44726898

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methoxyphenyl)-methylcarbamoyl]furan-3-carboxylic acid?
The IUPAC name of 5-[(4-methoxyphenyl)-methylcarbamoyl]furan-3-carboxylic acid (CID 104607461) is 5-[(4-methoxyphenyl)-methylcarbamoyl]furan-3-carboxylic acid.
What is the SMILES notation for 5-[(4-methoxyphenyl)-methylcarbamoyl]furan-3-carboxylic acid?
The canonical SMILES for 5-[(4-methoxyphenyl)-methylcarbamoyl]furan-3-carboxylic acid is COc1ccc(N(C)C(=O)c2cc(C(=O)O)co2)cc1.
What is the InChIKey of 5-[(4-methoxyphenyl)-methylcarbamoyl]furan-3-carboxylic acid?
The InChIKey is JVSLGTIDIBWVEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO5/c1-15(10-3-5-11(19-2)6-4-10)13(16)12-7-9(8-20-12)14(17)18/h3-8H,1-2H3,(H,17,18).
What are the key properties of 5-[(4-methoxyphenyl)-methylcarbamoyl]furan-3-carboxylic acid?
5-[(4-methoxyphenyl)-methylcarbamoyl]furan-3-carboxylic acid has a molecular weight of 275.26 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methoxyphenyl)-methylcarbamoyl]furan-3-carboxylic acid is sourced from PubChem (CID 104607461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).