N-[(2S)-2-hydroxypropyl]-6,7-dimethoxy-3-methyl-1-benzofuran-2-carboxamide

C15H19NO5 — CID 744548

IUPACN-[(2S)-2-hydroxypropyl]-6,7-dimethoxy-3-methyl-1-benzofuran-2-carboxamide
SMILESCOc1ccc2c(C)c(C(=O)NC[C@H](C)O)oc2c1OC
InChIInChI=1S/C15H19NO5/c1-8(17)7-16-15(18)12-9(2)10-5-6-11(19-3)14(20-4)13(10)21-12/h5-6,8,17H,7H2,1-4H3,(H,16,18)/t8-/m0/s1
InChIKeyOXLRBPDFHQJOAA-QMMMGPOBSA-N
MW293.32 g/mol
LogP1.87
Rot. Bonds5

About N-[(2S)-2-hydroxypropyl]-6,7-dimethoxy-3-methyl-1-benzofuran-2-carboxamide

N-[(2S)-2-hydroxypropyl]-6,7-dimethoxy-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 744548) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is N-[(2S)-2-hydroxypropyl]-6,7-dimethoxy-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-hydroxypropyl]-6,7-dimethoxy-3-methyl-1-benzofuran-2-carboxamide
PubChem CID744548
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC NameN-[(2S)-2-hydroxypropyl]-6,7-dimethoxy-3-methyl-1-benzofuran-2-carboxamide
SMILESCOc1ccc2c(C)c(C(=O)NC[C@H](C)O)oc2c1OC
InChIInChI=1S/C15H19NO5/c1-8(17)7-16-15(18)12-9(2)10-5-6-11(19-3)14(20-4)13(10)21-12/h5-6,8,17H,7H2,1-4H3,(H,16,18)/t8-/m0/s1
InChIKeyOXLRBPDFHQJOAA-QMMMGPOBSA-N
XLogP1.87
TPSA80.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-hydroxypropyl]-6,7-dimethoxy-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-[(2S)-2-hydroxypropyl]-6,7-dimethoxy-3-methyl-1-benzofuran-2-carboxamide (CID 744548) is N-[(2S)-2-hydroxypropyl]-6,7-dimethoxy-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[(2S)-2-hydroxypropyl]-6,7-dimethoxy-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[(2S)-2-hydroxypropyl]-6,7-dimethoxy-3-methyl-1-benzofuran-2-carboxamide is COc1ccc2c(C)c(C(=O)NC[C@H](C)O)oc2c1OC.
What is the InChIKey of N-[(2S)-2-hydroxypropyl]-6,7-dimethoxy-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is OXLRBPDFHQJOAA-QMMMGPOBSA-N. The full InChI is InChI=1S/C15H19NO5/c1-8(17)7-16-15(18)12-9(2)10-5-6-11(19-3)14(20-4)13(10)21-12/h5-6,8,17H,7H2,1-4H3,(H,16,18)/t8-/m0/s1.
What are the key properties of N-[(2S)-2-hydroxypropyl]-6,7-dimethoxy-3-methyl-1-benzofuran-2-carboxamide?
N-[(2S)-2-hydroxypropyl]-6,7-dimethoxy-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 293.32 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-hydroxypropyl]-6,7-dimethoxy-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 744548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).