5-[[1-methoxy-1-(4-methoxyphenyl)propan-2-yl]carbamoyl]furan-3-carboxylic acid

C17H19NO6 — CID 120552499

IUPAC5-[[1-methoxy-1-(4-methoxyphenyl)propan-2-yl]carbamoyl]furan-3-carboxylic acid
SMILESCOc1ccc(C(OC)C(C)NC(=O)c2cc(C(=O)O)co2)cc1
InChIInChI=1S/C17H19NO6/c1-10(15(23-3)11-4-6-13(22-2)7-5-11)18-16(19)14-8-12(9-24-14)17(20)21/h4-10,15H,1-3H3,(H,18,19)(H,20,21)
InChIKeyMVEOGUQDRARMMF-UHFFFAOYSA-N
MW333.34 g/mol
LogP2.49
Rot. Bonds7

About 5-[[1-methoxy-1-(4-methoxyphenyl)propan-2-yl]carbamoyl]furan-3-carboxylic acid

5-[[1-methoxy-1-(4-methoxyphenyl)propan-2-yl]carbamoyl]furan-3-carboxylic acid (PubChem CID 120552499) has the molecular formula C17H19NO6 and a molecular weight of 333.34 g/mol. Its IUPAC name is 5-[[1-methoxy-1-(4-methoxyphenyl)propan-2-yl]carbamoyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name5-[[1-methoxy-1-(4-methoxyphenyl)propan-2-yl]carbamoyl]furan-3-carboxylic acid
PubChem CID120552499
Molecular FormulaC17H19NO6
Molecular Weight333.34 g/mol
Exact Mass333.12
IUPAC Name5-[[1-methoxy-1-(4-methoxyphenyl)propan-2-yl]carbamoyl]furan-3-carboxylic acid
SMILESCOc1ccc(C(OC)C(C)NC(=O)c2cc(C(=O)O)co2)cc1
InChIInChI=1S/C17H19NO6/c1-10(15(23-3)11-4-6-13(22-2)7-5-11)18-16(19)14-8-12(9-24-14)17(20)21/h4-10,15H,1-3H3,(H,18,19)(H,20,21)
InChIKeyMVEOGUQDRARMMF-UHFFFAOYSA-N
XLogP2.49
TPSA98.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[3-(4-methoxyphenyl)-2-methylpropyl]carbamoyl]furan-3-carboxylic acid
CID 120551585
2-fluoro-N-[(1S,2S)-1-methoxy-1-(4-methoxyphenyl)propan-2-yl]pyridine-4-carboxamide
CID 97256121
N-[(1S,2R)-1-methoxy-1-(4-methoxyphenyl)propan-2-yl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 97256126
1-methoxy-1-(4-methoxyphenyl)-N-methylpropan-2-amine
CID 91693922
3-[[1-methoxy-1-(4-methoxyphenyl)propan-2-yl]carbamoyl-methylamino]-2-methylpropanoic acid
CID 122008787
2-[3-[[1-methoxy-1-(4-methoxyphenyl)propan-2-yl]amino]-3-oxopropyl]benzoic acid
CID 120552490
5-(1-ethoxypropan-2-ylcarbamoyl)furan-3-carboxylic acid
CID 104607428
6-[[(1R)-1-(4-methoxyphenyl)ethyl]carbamoyl]-4-oxopyran-2-carboxylic acid
CID 59356746
2-[1-(4-methoxyphenyl)ethylcarbamoyl]terephthalic acid
CID 50876855
5-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]furan-3-carboxylic acid
CID 113432244
N-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]furan-2-carboxamide
CID 40938970
5-[(4-methoxyanilino)methyl]furan-3-carboxylic acid
CID 113432435

Frequently Asked Questions

What is the IUPAC name of 5-[[1-methoxy-1-(4-methoxyphenyl)propan-2-yl]carbamoyl]furan-3-carboxylic acid?
The IUPAC name of 5-[[1-methoxy-1-(4-methoxyphenyl)propan-2-yl]carbamoyl]furan-3-carboxylic acid (CID 120552499) is 5-[[1-methoxy-1-(4-methoxyphenyl)propan-2-yl]carbamoyl]furan-3-carboxylic acid.
What is the SMILES notation for 5-[[1-methoxy-1-(4-methoxyphenyl)propan-2-yl]carbamoyl]furan-3-carboxylic acid?
The canonical SMILES for 5-[[1-methoxy-1-(4-methoxyphenyl)propan-2-yl]carbamoyl]furan-3-carboxylic acid is COc1ccc(C(OC)C(C)NC(=O)c2cc(C(=O)O)co2)cc1.
What is the InChIKey of 5-[[1-methoxy-1-(4-methoxyphenyl)propan-2-yl]carbamoyl]furan-3-carboxylic acid?
The InChIKey is MVEOGUQDRARMMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO6/c1-10(15(23-3)11-4-6-13(22-2)7-5-11)18-16(19)14-8-12(9-24-14)17(20)21/h4-10,15H,1-3H3,(H,18,19)(H,20,21).
What are the key properties of 5-[[1-methoxy-1-(4-methoxyphenyl)propan-2-yl]carbamoyl]furan-3-carboxylic acid?
5-[[1-methoxy-1-(4-methoxyphenyl)propan-2-yl]carbamoyl]furan-3-carboxylic acid has a molecular weight of 333.34 g/mol, XLogP of 2.49, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-methoxy-1-(4-methoxyphenyl)propan-2-yl]carbamoyl]furan-3-carboxylic acid is sourced from PubChem (CID 120552499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).