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

C14H21NO3 — CID 27307706

IUPAC(4R)-4-hydroxy-N,N,3,6,6-pentamethyl-5,7-dihydro-4H-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)N(C)C)oc2c1[C@H](O)CC(C)(C)C2
InChIInChI=1S/C14H21NO3/c1-8-11-9(16)6-14(2,3)7-10(11)18-12(8)13(17)15(4)5/h9,16H,6-7H2,1-5H3/t9-/m1/s1
InChIKeyDRBMTFAGFAINAH-SECBINFHSA-N
MW251.33 g/mol
LogP2.30
Rot. Bonds1

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

(4R)-4-hydroxy-N,N,3,6,6-pentamethyl-5,7-dihydro-4H-1-benzofuran-2-carboxamide (PubChem CID 27307706) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is (4R)-4-hydroxy-N,N,3,6,6-pentamethyl-5,7-dihydro-4H-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name(4R)-4-hydroxy-N,N,3,6,6-pentamethyl-5,7-dihydro-4H-1-benzofuran-2-carboxamide
PubChem CID27307706
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name(4R)-4-hydroxy-N,N,3,6,6-pentamethyl-5,7-dihydro-4H-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)N(C)C)oc2c1[C@H](O)CC(C)(C)C2
InChIInChI=1S/C14H21NO3/c1-8-11-9(16)6-14(2,3)7-10(11)18-12(8)13(17)15(4)5/h9,16H,6-7H2,1-5H3/t9-/m1/s1
InChIKeyDRBMTFAGFAINAH-SECBINFHSA-N
XLogP2.30
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-hydroxy-N,N,3,6,6-pentamethyl-5,7-dihydro-4H-1-benzofuran-2-carboxamide?
The IUPAC name of (4R)-4-hydroxy-N,N,3,6,6-pentamethyl-5,7-dihydro-4H-1-benzofuran-2-carboxamide (CID 27307706) is (4R)-4-hydroxy-N,N,3,6,6-pentamethyl-5,7-dihydro-4H-1-benzofuran-2-carboxamide.
What is the SMILES notation for (4R)-4-hydroxy-N,N,3,6,6-pentamethyl-5,7-dihydro-4H-1-benzofuran-2-carboxamide?
The canonical SMILES for (4R)-4-hydroxy-N,N,3,6,6-pentamethyl-5,7-dihydro-4H-1-benzofuran-2-carboxamide is Cc1c(C(=O)N(C)C)oc2c1[C@H](O)CC(C)(C)C2.
What is the InChIKey of (4R)-4-hydroxy-N,N,3,6,6-pentamethyl-5,7-dihydro-4H-1-benzofuran-2-carboxamide?
The InChIKey is DRBMTFAGFAINAH-SECBINFHSA-N. The full InChI is InChI=1S/C14H21NO3/c1-8-11-9(16)6-14(2,3)7-10(11)18-12(8)13(17)15(4)5/h9,16H,6-7H2,1-5H3/t9-/m1/s1.
What are the key properties of (4R)-4-hydroxy-N,N,3,6,6-pentamethyl-5,7-dihydro-4H-1-benzofuran-2-carboxamide?
(4R)-4-hydroxy-N,N,3,6,6-pentamethyl-5,7-dihydro-4H-1-benzofuran-2-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 2.30, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-hydroxy-N,N,3,6,6-pentamethyl-5,7-dihydro-4H-1-benzofuran-2-carboxamide is sourced from PubChem (CID 27307706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).