2-cyclopropyl-N-[1-hydroxy-2-(4-hydroxyphenyl)propan-2-yl]furan-3-carboxamide

C17H19NO4 — CID 126841770

IUPAC2-cyclopropyl-N-[1-hydroxy-2-(4-hydroxyphenyl)propan-2-yl]furan-3-carboxamide
SMILESCC(CO)(NC(=O)c1ccoc1C1CC1)c1ccc(O)cc1
InChIInChI=1S/C17H19NO4/c1-17(10-19,12-4-6-13(20)7-5-12)18-16(21)14-8-9-22-15(14)11-2-3-11/h4-9,11,19-20H,2-3,10H2,1H3,(H,18,21)
InChIKeyKRGAIFDYBXXORP-UHFFFAOYSA-N
MW301.34 g/mol
LogP2.50
Rot. Bonds5

About 2-cyclopropyl-N-[1-hydroxy-2-(4-hydroxyphenyl)propan-2-yl]furan-3-carboxamide

2-cyclopropyl-N-[1-hydroxy-2-(4-hydroxyphenyl)propan-2-yl]furan-3-carboxamide (PubChem CID 126841770) has the molecular formula C17H19NO4 and a molecular weight of 301.34 g/mol. Its IUPAC name is 2-cyclopropyl-N-[1-hydroxy-2-(4-hydroxyphenyl)propan-2-yl]furan-3-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[1-hydroxy-2-(4-hydroxyphenyl)propan-2-yl]furan-3-carboxamide
PubChem CID126841770
Molecular FormulaC17H19NO4
Molecular Weight301.34 g/mol
Exact Mass301.13
IUPAC Name2-cyclopropyl-N-[1-hydroxy-2-(4-hydroxyphenyl)propan-2-yl]furan-3-carboxamide
SMILESCC(CO)(NC(=O)c1ccoc1C1CC1)c1ccc(O)cc1
InChIInChI=1S/C17H19NO4/c1-17(10-19,12-4-6-13(20)7-5-12)18-16(21)14-8-9-22-15(14)11-2-3-11/h4-9,11,19-20H,2-3,10H2,1H3,(H,18,21)
InChIKeyKRGAIFDYBXXORP-UHFFFAOYSA-N
XLogP2.50
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxybenzoyl)furan-3-carboxamide
CID 2815416
N-[3-amino-2-[(4-ethoxyphenyl)methyl]-3-oxopropyl]furan-3-carboxamide
CID 53508943
N-[3-amino-2-[(4-ethoxyphenyl)methyl]-3-oxopropyl]-2-methylfuran-3-carboxamide
CID 53510563
N-(2-hydroxybenzoyl)-2-methyl-furan-3-carboxamide
CID 57386537
N-(3-Furanylcarbonyl)-L-tyrosine
CID 29899025
2-methyl-N-(4-phenyloxan-4-yl)furan-3-carboxamide
CID 97212673
(2R)-2-[(5-methylfuran-3-carbonyl)amino]-2-phenylbutanoic acid
CID 129469603
5-(2-cyclopropylphenyl)-N-(1,3-dihydroxy-2-methylpropan-2-yl)-6-fluoro-2-methyl-1-benzofuran-3-carboxamide
CID 176378610
N-[(2S)-1-amino-3-hydroxy-2-methyl-1-oxopropan-2-yl]-5-[(2,2-difluorocyclopropyl)methyl]-2-methyl-1-benzofuran-3-carboxamide
CID 176378619
5-(4-cyclopropylphenyl)-N-(4,4-difluoro-1-hydroxy-2-methylbutan-2-yl)-2-methyl-1-benzofuran-3-carboxamide
CID 176378678
5-[(4,4-difluorocyclohexyl)methyl]-N-(1-hydroxy-3-methoxy-2-methylpropan-2-yl)-2-methyl-1-benzofuran-3-carboxamide
CID 176378690
N-(1-hydroxy-3-methoxy-2-methylpropan-2-yl)-2-methyl-5-[[3-(trifluoromethyl)cyclobutyl]methyl]-1-benzofuran-3-carboxamide
CID 176378697

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[1-hydroxy-2-(4-hydroxyphenyl)propan-2-yl]furan-3-carboxamide?
The IUPAC name of 2-cyclopropyl-N-[1-hydroxy-2-(4-hydroxyphenyl)propan-2-yl]furan-3-carboxamide (CID 126841770) is 2-cyclopropyl-N-[1-hydroxy-2-(4-hydroxyphenyl)propan-2-yl]furan-3-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-[1-hydroxy-2-(4-hydroxyphenyl)propan-2-yl]furan-3-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-[1-hydroxy-2-(4-hydroxyphenyl)propan-2-yl]furan-3-carboxamide is CC(CO)(NC(=O)c1ccoc1C1CC1)c1ccc(O)cc1.
What is the InChIKey of 2-cyclopropyl-N-[1-hydroxy-2-(4-hydroxyphenyl)propan-2-yl]furan-3-carboxamide?
The InChIKey is KRGAIFDYBXXORP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4/c1-17(10-19,12-4-6-13(20)7-5-12)18-16(21)14-8-9-22-15(14)11-2-3-11/h4-9,11,19-20H,2-3,10H2,1H3,(H,18,21).
What are the key properties of 2-cyclopropyl-N-[1-hydroxy-2-(4-hydroxyphenyl)propan-2-yl]furan-3-carboxamide?
2-cyclopropyl-N-[1-hydroxy-2-(4-hydroxyphenyl)propan-2-yl]furan-3-carboxamide has a molecular weight of 301.34 g/mol, XLogP of 2.50, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[1-hydroxy-2-(4-hydroxyphenyl)propan-2-yl]furan-3-carboxamide is sourced from PubChem (CID 126841770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).