5-[[3-(4-methoxyphenyl)-2-methylpropyl]carbamoyl]furan-3-carboxylic acid

C17H19NO5 — CID 120551585

IUPAC5-[[3-(4-methoxyphenyl)-2-methylpropyl]carbamoyl]furan-3-carboxylic acid
SMILESCOc1ccc(CC(C)CNC(=O)c2cc(C(=O)O)co2)cc1
InChIInChI=1S/C17H19NO5/c1-11(7-12-3-5-14(22-2)6-4-12)9-18-16(19)15-8-13(10-23-15)17(20)21/h3-6,8,10-11H,7,9H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyQGTAZSTZRBMONO-UHFFFAOYSA-N
MW317.34 g/mol
LogP2.60
Rot. Bonds7

About 5-[[3-(4-methoxyphenyl)-2-methylpropyl]carbamoyl]furan-3-carboxylic acid

5-[[3-(4-methoxyphenyl)-2-methylpropyl]carbamoyl]furan-3-carboxylic acid (PubChem CID 120551585) has the molecular formula C17H19NO5 and a molecular weight of 317.34 g/mol. Its IUPAC name is 5-[[3-(4-methoxyphenyl)-2-methylpropyl]carbamoyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name5-[[3-(4-methoxyphenyl)-2-methylpropyl]carbamoyl]furan-3-carboxylic acid
PubChem CID120551585
Molecular FormulaC17H19NO5
Molecular Weight317.34 g/mol
Exact Mass317.13
IUPAC Name5-[[3-(4-methoxyphenyl)-2-methylpropyl]carbamoyl]furan-3-carboxylic acid
SMILESCOc1ccc(CC(C)CNC(=O)c2cc(C(=O)O)co2)cc1
InChIInChI=1S/C17H19NO5/c1-11(7-12-3-5-14(22-2)6-4-12)9-18-16(19)15-8-13(10-23-15)17(20)21/h3-6,8,10-11H,7,9H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyQGTAZSTZRBMONO-UHFFFAOYSA-N
XLogP2.60
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[1-methoxy-1-(4-methoxyphenyl)propan-2-yl]carbamoyl]furan-3-carboxylic acid
CID 120552499
N-[3-(4-methoxyphenyl)-2-methylpropyl]-2-(methylamino)acetamide;hydrochloride
CID 120705474
5-[(4-methoxyphenyl)-methylcarbamoyl]furan-3-carboxylic acid
CID 104607461
ethyl 2-[[(2S)-3-(4-methoxyphenyl)-2-methylpropyl]amino]-2-oxoacetate
CID 124927682
3-[[3-(4-methoxyphenyl)-2-methylpropyl]carbamoyl-methylamino]propanoic acid
CID 122008074
1-tert-butyl-N-[(2R)-3-(4-methoxyphenyl)-2-methylpropyl]triazole-4-carboxamide
CID 124855679
N-[(2R)-3-(4-methoxyphenyl)-2-methylpropyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide
CID 124571320
N-[3-(4-methoxyphenyl)-2-methylpropyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide
CID 122156338
5-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]furan-3-carboxylic acid
CID 113432244
3-[[3-(4-methoxyphenyl)-2-methylpropyl]-methylcarbamoyl]benzoic acid
CID 120695866
5-(4-methylpentylcarbamoyl)furan-3-carboxylic acid
CID 104607558
5-[[2-(4-methoxyphenyl)ethylamino]methyl]furan-3-carboxylic acid
CID 104607952

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(4-methoxyphenyl)-2-methylpropyl]carbamoyl]furan-3-carboxylic acid?
The IUPAC name of 5-[[3-(4-methoxyphenyl)-2-methylpropyl]carbamoyl]furan-3-carboxylic acid (CID 120551585) is 5-[[3-(4-methoxyphenyl)-2-methylpropyl]carbamoyl]furan-3-carboxylic acid.
What is the SMILES notation for 5-[[3-(4-methoxyphenyl)-2-methylpropyl]carbamoyl]furan-3-carboxylic acid?
The canonical SMILES for 5-[[3-(4-methoxyphenyl)-2-methylpropyl]carbamoyl]furan-3-carboxylic acid is COc1ccc(CC(C)CNC(=O)c2cc(C(=O)O)co2)cc1.
What is the InChIKey of 5-[[3-(4-methoxyphenyl)-2-methylpropyl]carbamoyl]furan-3-carboxylic acid?
The InChIKey is QGTAZSTZRBMONO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO5/c1-11(7-12-3-5-14(22-2)6-4-12)9-18-16(19)15-8-13(10-23-15)17(20)21/h3-6,8,10-11H,7,9H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 5-[[3-(4-methoxyphenyl)-2-methylpropyl]carbamoyl]furan-3-carboxylic acid?
5-[[3-(4-methoxyphenyl)-2-methylpropyl]carbamoyl]furan-3-carboxylic acid has a molecular weight of 317.34 g/mol, XLogP of 2.60, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(4-methoxyphenyl)-2-methylpropyl]carbamoyl]furan-3-carboxylic acid is sourced from PubChem (CID 120551585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).