(4R)-4-hydroxy-N-(2-methoxyethyl)-3,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-2-carboxamide

C15H23NO4 — CID 27307692

IUPAC(4R)-4-hydroxy-N-(2-methoxyethyl)-3,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-2-carboxamide
SMILESCOCCNC(=O)c1oc2c(c1C)[C@H](O)CC(C)(C)C2
InChIInChI=1S/C15H23NO4/c1-9-12-10(17)7-15(2,3)8-11(12)20-13(9)14(18)16-5-6-19-4/h10,17H,5-8H2,1-4H3,(H,16,18)/t10-/m1/s1
InChIKeyCKSLXHISCYJMLJ-SNVBAGLBSA-N
MW281.35 g/mol
LogP1.97
Rot. Bonds4

About (4R)-4-hydroxy-N-(2-methoxyethyl)-3,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-2-carboxamide

(4R)-4-hydroxy-N-(2-methoxyethyl)-3,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-2-carboxamide (PubChem CID 27307692) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is (4R)-4-hydroxy-N-(2-methoxyethyl)-3,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name(4R)-4-hydroxy-N-(2-methoxyethyl)-3,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-2-carboxamide
PubChem CID27307692
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Name(4R)-4-hydroxy-N-(2-methoxyethyl)-3,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-2-carboxamide
SMILESCOCCNC(=O)c1oc2c(c1C)[C@H](O)CC(C)(C)C2
InChIInChI=1S/C15H23NO4/c1-9-12-10(17)7-15(2,3)8-11(12)20-13(9)14(18)16-5-6-19-4/h10,17H,5-8H2,1-4H3,(H,16,18)/t10-/m1/s1
InChIKeyCKSLXHISCYJMLJ-SNVBAGLBSA-N
XLogP1.97
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (4R)-4-hydroxy-N-(2-methoxyethyl)-3,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4R)-4-hydroxy-N,N,3,6,6-pentamethyl-5,7-dihydro-4H-1-benzofuran-2-carboxamide
CID 27307706
(4S)-4-hydroxy-3,6,6-trimethyl-N-(pyridin-2-ylmethyl)-5,7-dihydro-4H-1-benzofuran-2-carboxamide
CID 7377983
(4R)-N-(4-chlorophenyl)-4-hydroxy-3,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-2-carboxamide
CID 27307665
(4R)-4-hydroxy-3,6,6-trimethyl-N-pyridin-3-yl-5,7-dihydro-4H-1-benzofuran-2-carboxamide
CID 7596330
9-hydroxy-N-(3-methoxypropyl)-1-methylspiro[8,9-dihydrofuro[3,2-f]chromene-7,1'-cyclopentane]-2-carboxamide
CID 20916500
N-(2-methoxyethyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 110684796
N-(2-methoxyethyl)-8-methyl-4,5-dihydro-1H-furo[2,3-g]indazole-7-carboxamide
CID 22511775
6-[(3,6,6-trimethyl-4-oxo-5,7-dihydro-1-benzofuran-2-carbonyl)amino]hexanoic acid
CID 75417868
3,6,6-trimethyl-4-oxo-N-[2-(pyrimidin-2-ylamino)ethyl]-5,7-dihydro-1-benzofuran-2-carboxamide
CID 51087082
(4Z)-4-(carbamoylhydrazinylidene)-N-(1-methoxypropan-2-yl)-3,6,6-trimethyl-5,7-dihydro-1-benzofuran-2-carboxamide
CID 18835695
3,6,6-trimethyl-N-(3-morpholin-4-ium-4-ylpropyl)-4-oxo-5,7-dihydro-1-benzofuran-2-carboxamide
CID 7372164
(4E)-4-(benzoylhydrazinylidene)-N-(2-methoxyethyl)-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carboxamide
CID 19155055

Frequently Asked Questions

What is the IUPAC name of (4R)-4-hydroxy-N-(2-methoxyethyl)-3,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-2-carboxamide?
The IUPAC name of (4R)-4-hydroxy-N-(2-methoxyethyl)-3,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-2-carboxamide (CID 27307692) is (4R)-4-hydroxy-N-(2-methoxyethyl)-3,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-2-carboxamide.
What is the SMILES notation for (4R)-4-hydroxy-N-(2-methoxyethyl)-3,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-2-carboxamide?
The canonical SMILES for (4R)-4-hydroxy-N-(2-methoxyethyl)-3,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-2-carboxamide is COCCNC(=O)c1oc2c(c1C)[C@H](O)CC(C)(C)C2.
What is the InChIKey of (4R)-4-hydroxy-N-(2-methoxyethyl)-3,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-2-carboxamide?
The InChIKey is CKSLXHISCYJMLJ-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H23NO4/c1-9-12-10(17)7-15(2,3)8-11(12)20-13(9)14(18)16-5-6-19-4/h10,17H,5-8H2,1-4H3,(H,16,18)/t10-/m1/s1.
What are the key properties of (4R)-4-hydroxy-N-(2-methoxyethyl)-3,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-2-carboxamide?
(4R)-4-hydroxy-N-(2-methoxyethyl)-3,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-2-carboxamide has a molecular weight of 281.35 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-hydroxy-N-(2-methoxyethyl)-3,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-2-carboxamide is sourced from PubChem (CID 27307692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).