N-(1-hydroxy-2-methylpropan-2-yl)-7-methoxy-3-methyl-1-benzofuran-2-carboxamide

C15H19NO4 — CID 110000692

IUPACN-(1-hydroxy-2-methylpropan-2-yl)-7-methoxy-3-methyl-1-benzofuran-2-carboxamide
SMILESCOc1cccc2c(C)c(C(=O)NC(C)(C)CO)oc12
InChIInChI=1S/C15H19NO4/c1-9-10-6-5-7-11(19-4)13(10)20-12(9)14(18)16-15(2,3)8-17/h5-7,17H,8H2,1-4H3,(H,16,18)
InChIKeySZXGMYFXDSEABT-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.25
Rot. Bonds4

About N-(1-hydroxy-2-methylpropan-2-yl)-7-methoxy-3-methyl-1-benzofuran-2-carboxamide

N-(1-hydroxy-2-methylpropan-2-yl)-7-methoxy-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 110000692) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is N-(1-hydroxy-2-methylpropan-2-yl)-7-methoxy-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-2-methylpropan-2-yl)-7-methoxy-3-methyl-1-benzofuran-2-carboxamide
PubChem CID110000692
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC NameN-(1-hydroxy-2-methylpropan-2-yl)-7-methoxy-3-methyl-1-benzofuran-2-carboxamide
SMILESCOc1cccc2c(C)c(C(=O)NC(C)(C)CO)oc12
InChIInChI=1S/C15H19NO4/c1-9-10-6-5-7-11(19-4)13(10)20-12(9)14(18)16-15(2,3)8-17/h5-7,17H,8H2,1-4H3,(H,16,18)
InChIKeySZXGMYFXDSEABT-UHFFFAOYSA-N
XLogP2.25
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2-hydroxyethyl)phenyl]-7-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 110922813
methyl (3S)-3-[(7-methoxy-3-methyl-1-benzofuran-2-carbonyl)amino]butanoate
CID 95597118
3,7-dimethoxy-1-benzofuran-2-carbohydrazide
CID 57464190
N-tert-butyl-7-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 9344598
methyl (2R)-3-[(7-methoxy-3-methyl-1-benzofuran-2-carbonyl)-methylamino]-2-methylpropanoate
CID 95308053
methyl 3-hydroxy-7-methoxy-1-benzofuran-2-carboxylate
CID 54676990
2,7-dimethoxy-3-methyl-1-benzofuran
CID 70144170
1-(7-ethoxy-3-methyl-1-benzofuran-2-yl)ethanone
CID 43155106
N-(1-amino-2,4-dimethylpentan-2-yl)-3,7-dimethyl-1-benzofuran-2-carboxamide
CID 119600294
N-[3-(aminomethyl)pentan-3-yl]-7-chloro-3-methyl-1-benzofuran-2-carboxamide
CID 119569557
N'-(4-ethoxy-3-methoxybenzoyl)-3,7-dimethyl-1-benzofuran-2-carbohydrazide
CID 55996326
N-(1-bromo-2-methylpropan-2-yl)-2,6-dimethoxybenzamide
CID 113274115

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-7-methoxy-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-7-methoxy-3-methyl-1-benzofuran-2-carboxamide (CID 110000692) is N-(1-hydroxy-2-methylpropan-2-yl)-7-methoxy-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(1-hydroxy-2-methylpropan-2-yl)-7-methoxy-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(1-hydroxy-2-methylpropan-2-yl)-7-methoxy-3-methyl-1-benzofuran-2-carboxamide is COc1cccc2c(C)c(C(=O)NC(C)(C)CO)oc12.
What is the InChIKey of N-(1-hydroxy-2-methylpropan-2-yl)-7-methoxy-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is SZXGMYFXDSEABT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-9-10-6-5-7-11(19-4)13(10)20-12(9)14(18)16-15(2,3)8-17/h5-7,17H,8H2,1-4H3,(H,16,18).
What are the key properties of N-(1-hydroxy-2-methylpropan-2-yl)-7-methoxy-3-methyl-1-benzofuran-2-carboxamide?
N-(1-hydroxy-2-methylpropan-2-yl)-7-methoxy-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 277.32 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-2-methylpropan-2-yl)-7-methoxy-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 110000692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).