methyl 4-[[4,5-di(propan-2-yl)furan-2-carbonyl]amino]-2-hydroxybenzoate

C19H23NO5 — CID 67394747

IUPACmethyl 4-[[4,5-di(propan-2-yl)furan-2-carbonyl]amino]-2-hydroxybenzoate
SMILESCOC(=O)c1ccc(NC(=O)c2cc(C(C)C)c(C(C)C)o2)cc1O
InChIInChI=1S/C19H23NO5/c1-10(2)14-9-16(25-17(14)11(3)4)18(22)20-12-6-7-13(15(21)8-12)19(23)24-5/h6-11,21H,1-5H3,(H,20,22)
InChIKeyYCZYKMHWVAZMHW-UHFFFAOYSA-N
MW345.40 g/mol
LogP4.27
Rot. Bonds5

About methyl 4-[[4,5-di(propan-2-yl)furan-2-carbonyl]amino]-2-hydroxybenzoate

methyl 4-[[4,5-di(propan-2-yl)furan-2-carbonyl]amino]-2-hydroxybenzoate (PubChem CID 67394747) has the molecular formula C19H23NO5 and a molecular weight of 345.40 g/mol. Its IUPAC name is methyl 4-[[4,5-di(propan-2-yl)furan-2-carbonyl]amino]-2-hydroxybenzoate.

Molecular Properties

Compound Namemethyl 4-[[4,5-di(propan-2-yl)furan-2-carbonyl]amino]-2-hydroxybenzoate
PubChem CID67394747
Molecular FormulaC19H23NO5
Molecular Weight345.40 g/mol
Exact Mass345.16
IUPAC Namemethyl 4-[[4,5-di(propan-2-yl)furan-2-carbonyl]amino]-2-hydroxybenzoate
SMILESCOC(=O)c1ccc(NC(=O)c2cc(C(C)C)c(C(C)C)o2)cc1O
InChIInChI=1S/C19H23NO5/c1-10(2)14-9-16(25-17(14)11(3)4)18(22)20-12-6-7-13(15(21)8-12)19(23)24-5/h6-11,21H,1-5H3,(H,20,22)
InChIKeyYCZYKMHWVAZMHW-UHFFFAOYSA-N
XLogP4.27
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 4-[[4,5-di(propan-2-yl)furan-2-carbonyl]amino]-2-hydroxybenzoate with MolForge

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Related Compounds

4-[[4,5-di(propan-2-yl)furan-2-carbonyl]amino]-2,6-difluorobenzoic acid
CID 25189599
ethyl 4-[[4,5-di(propan-2-yl)furan-2-carbonyl]amino]-2,6-difluorobenzoate
CID 67395238
methyl 4-[(2-chloroacetyl)amino]-2-hydroxybenzoate
CID 83300739
6-[[4,5-di(propan-2-yl)furan-2-carbonyl]amino]pyridine-3-carboxylic acid
CID 25189521
methyl 2-hydroxy-4-(propoxycarbonylamino)benzoate
CID 139715221
methyl 4-(hydroxymethyl)-2-propan-2-ylbenzoate
CID 171784166
acetyl 4-acetamido-2-hydroxybenzoate
CID 88771409
methyl 2-hydroxy-4-sulfooxybenzoate
CID 102439908
2-hydroxy-N-[4-[(2-hydroxy-4-methoxybenzoyl)amino]phenyl]-4-methoxybenzamide
CID 23249025
methyl 4-(cyclohexyloxycarbonylamino)-2-hydroxybenzoate
CID 139715310
methyl 2-hydroxy-4-[[4-(3-hydroxy-4-methoxycarbonylanilino)-6-(1-sulfanylethyl)-1,3,5-triazin-2-yl]amino]benzoate
CID 166724659
N-(4-methoxy-3-propan-2-ylphenyl)furan-2-carboxamide
CID 110776754

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[4,5-di(propan-2-yl)furan-2-carbonyl]amino]-2-hydroxybenzoate?
The IUPAC name of methyl 4-[[4,5-di(propan-2-yl)furan-2-carbonyl]amino]-2-hydroxybenzoate (CID 67394747) is methyl 4-[[4,5-di(propan-2-yl)furan-2-carbonyl]amino]-2-hydroxybenzoate.
What is the SMILES notation for methyl 4-[[4,5-di(propan-2-yl)furan-2-carbonyl]amino]-2-hydroxybenzoate?
The canonical SMILES for methyl 4-[[4,5-di(propan-2-yl)furan-2-carbonyl]amino]-2-hydroxybenzoate is COC(=O)c1ccc(NC(=O)c2cc(C(C)C)c(C(C)C)o2)cc1O.
What is the InChIKey of methyl 4-[[4,5-di(propan-2-yl)furan-2-carbonyl]amino]-2-hydroxybenzoate?
The InChIKey is YCZYKMHWVAZMHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO5/c1-10(2)14-9-16(25-17(14)11(3)4)18(22)20-12-6-7-13(15(21)8-12)19(23)24-5/h6-11,21H,1-5H3,(H,20,22).
What are the key properties of methyl 4-[[4,5-di(propan-2-yl)furan-2-carbonyl]amino]-2-hydroxybenzoate?
methyl 4-[[4,5-di(propan-2-yl)furan-2-carbonyl]amino]-2-hydroxybenzoate has a molecular weight of 345.40 g/mol, XLogP of 4.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[4,5-di(propan-2-yl)furan-2-carbonyl]amino]-2-hydroxybenzoate is sourced from PubChem (CID 67394747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).