(2R)-N-tert-butyl-2-[4-[2-(3,4-dihydroxy-5-methylphenyl)acetyl]-5-methylfuran-2-yl]-2-hydroxyacetamide

C20H25NO6 — CID 167110103

IUPAC(2R)-N-tert-butyl-2-[4-[2-(3,4-dihydroxy-5-methylphenyl)acetyl]-5-methylfuran-2-yl]-2-hydroxyacetamide
SMILESCc1cc(CC(=O)c2cc([C@@H](O)C(=O)NC(C)(C)C)oc2C)cc(O)c1O
InChIInChI=1S/C20H25NO6/c1-10-6-12(8-15(23)17(10)24)7-14(22)13-9-16(27-11(13)2)18(25)19(26)21-20(3,4)5/h6,8-9,18,23-25H,7H2,1-5H3,(H,21,26)/t18-/m1/s1
InChIKeyOMGTYTIQJLKZCG-GOSISDBHSA-N
MW375.42 g/mol
LogP2.68
Rot. Bonds5

About (2R)-N-tert-butyl-2-[4-[2-(3,4-dihydroxy-5-methylphenyl)acetyl]-5-methylfuran-2-yl]-2-hydroxyacetamide

(2R)-N-tert-butyl-2-[4-[2-(3,4-dihydroxy-5-methylphenyl)acetyl]-5-methylfuran-2-yl]-2-hydroxyacetamide (PubChem CID 167110103) has the molecular formula C20H25NO6 and a molecular weight of 375.42 g/mol. Its IUPAC name is (2R)-N-tert-butyl-2-[4-[2-(3,4-dihydroxy-5-methylphenyl)acetyl]-5-methylfuran-2-yl]-2-hydroxyacetamide.

Molecular Properties

Compound Name(2R)-N-tert-butyl-2-[4-[2-(3,4-dihydroxy-5-methylphenyl)acetyl]-5-methylfuran-2-yl]-2-hydroxyacetamide
PubChem CID167110103
Molecular FormulaC20H25NO6
Molecular Weight375.42 g/mol
Exact Mass375.17
IUPAC Name(2R)-N-tert-butyl-2-[4-[2-(3,4-dihydroxy-5-methylphenyl)acetyl]-5-methylfuran-2-yl]-2-hydroxyacetamide
SMILESCc1cc(CC(=O)c2cc([C@@H](O)C(=O)NC(C)(C)C)oc2C)cc(O)c1O
InChIInChI=1S/C20H25NO6/c1-10-6-12(8-15(23)17(10)24)7-14(22)13-9-16(27-11(13)2)18(25)19(26)21-20(3,4)5/h6,8-9,18,23-25H,7H2,1-5H3,(H,21,26)/t18-/m1/s1
InChIKeyOMGTYTIQJLKZCG-GOSISDBHSA-N
XLogP2.68
TPSA120.00 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.42
LogP ≤ 52.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-tert-butyl-2-[4-[2-(3,4-dihydroxy-5-methylphenyl)acetyl]-5-methylfuran-2-yl]-2-hydroxyacetamide?
The IUPAC name of (2R)-N-tert-butyl-2-[4-[2-(3,4-dihydroxy-5-methylphenyl)acetyl]-5-methylfuran-2-yl]-2-hydroxyacetamide (CID 167110103) is (2R)-N-tert-butyl-2-[4-[2-(3,4-dihydroxy-5-methylphenyl)acetyl]-5-methylfuran-2-yl]-2-hydroxyacetamide.
What is the SMILES notation for (2R)-N-tert-butyl-2-[4-[2-(3,4-dihydroxy-5-methylphenyl)acetyl]-5-methylfuran-2-yl]-2-hydroxyacetamide?
The canonical SMILES for (2R)-N-tert-butyl-2-[4-[2-(3,4-dihydroxy-5-methylphenyl)acetyl]-5-methylfuran-2-yl]-2-hydroxyacetamide is Cc1cc(CC(=O)c2cc([C@@H](O)C(=O)NC(C)(C)C)oc2C)cc(O)c1O.
What is the InChIKey of (2R)-N-tert-butyl-2-[4-[2-(3,4-dihydroxy-5-methylphenyl)acetyl]-5-methylfuran-2-yl]-2-hydroxyacetamide?
The InChIKey is OMGTYTIQJLKZCG-GOSISDBHSA-N. The full InChI is InChI=1S/C20H25NO6/c1-10-6-12(8-15(23)17(10)24)7-14(22)13-9-16(27-11(13)2)18(25)19(26)21-20(3,4)5/h6,8-9,18,23-25H,7H2,1-5H3,(H,21,26)/t18-/m1/s1.
What are the key properties of (2R)-N-tert-butyl-2-[4-[2-(3,4-dihydroxy-5-methylphenyl)acetyl]-5-methylfuran-2-yl]-2-hydroxyacetamide?
(2R)-N-tert-butyl-2-[4-[2-(3,4-dihydroxy-5-methylphenyl)acetyl]-5-methylfuran-2-yl]-2-hydroxyacetamide has a molecular weight of 375.42 g/mol, XLogP of 2.68, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-tert-butyl-2-[4-[2-(3,4-dihydroxy-5-methylphenyl)acetyl]-5-methylfuran-2-yl]-2-hydroxyacetamide is sourced from PubChem (CID 167110103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).