N-[4-(hydroxymethyl)oxan-4-yl]-5-methyl-1-benzofuran-2-carboxamide

C16H19NO4 — CID 103954201

IUPACN-[4-(hydroxymethyl)oxan-4-yl]-5-methyl-1-benzofuran-2-carboxamide
SMILESCc1ccc2oc(C(=O)NC3(CO)CCOCC3)cc2c1
InChIInChI=1S/C16H19NO4/c1-11-2-3-13-12(8-11)9-14(21-13)15(19)17-16(10-18)4-6-20-7-5-16/h2-3,8-9,18H,4-7,10H2,1H3,(H,17,19)
InChIKeyGUEHZSMAZGKZCU-UHFFFAOYSA-N
MW289.33 g/mol
LogP2.01
Rot. Bonds3

About N-[4-(hydroxymethyl)oxan-4-yl]-5-methyl-1-benzofuran-2-carboxamide

N-[4-(hydroxymethyl)oxan-4-yl]-5-methyl-1-benzofuran-2-carboxamide (PubChem CID 103954201) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is N-[4-(hydroxymethyl)oxan-4-yl]-5-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[4-(hydroxymethyl)oxan-4-yl]-5-methyl-1-benzofuran-2-carboxamide
PubChem CID103954201
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC NameN-[4-(hydroxymethyl)oxan-4-yl]-5-methyl-1-benzofuran-2-carboxamide
SMILESCc1ccc2oc(C(=O)NC3(CO)CCOCC3)cc2c1
InChIInChI=1S/C16H19NO4/c1-11-2-3-13-12(8-11)9-14(21-13)15(19)17-16(10-18)4-6-20-7-5-16/h2-3,8-9,18H,4-7,10H2,1H3,(H,17,19)
InChIKeyGUEHZSMAZGKZCU-UHFFFAOYSA-N
XLogP2.01
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[4-(hydroxymethyl)oxan-4-yl]-5-methylbenzamide
CID 106296683
5-methyl-N-[[4-(1-phenylethylamino)oxan-4-yl]methyl]-1-benzofuran-2-carboxamide
CID 75463887
N-[4-(aminomethyl)oxan-4-yl]-1-benzofuran-2-carboxamide
CID 106297306
N-(1-cyanocyclohexyl)-5-methyl-1-benzofuran-2-carboxamide
CID 61150971
N-[4-(hydroxymethyl)oxan-4-yl]-5-methyl-2-nitrobenzamide
CID 106297438
N-(1,3-dihydroxypropan-2-yl)-5-methyl-1-benzofuran-2-carboxamide
CID 65314853
N-[4-(hydroxymethyl)oxan-4-yl]naphthalene-2-carboxamide
CID 103954237
N-[4-(hydroxymethyl)oxan-4-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 104630686
N-cyclopentyl-5-methyl-1-benzofuran-2-carboxamide
CID 17015654
N-[4-(hydroxymethyl)oxan-4-yl]-2,6-dimethylpyridine-3-carboxamide
CID 106297411
3-chloro-N-[4-(hydroxymethyl)oxan-4-yl]-4-methylbenzamide
CID 103954122
2-(2,5-dimethylphenoxy)-N-[4-(hydroxymethyl)oxan-4-yl]acetamide
CID 103954073

Frequently Asked Questions

What is the IUPAC name of N-[4-(hydroxymethyl)oxan-4-yl]-5-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-[4-(hydroxymethyl)oxan-4-yl]-5-methyl-1-benzofuran-2-carboxamide (CID 103954201) is N-[4-(hydroxymethyl)oxan-4-yl]-5-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[4-(hydroxymethyl)oxan-4-yl]-5-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[4-(hydroxymethyl)oxan-4-yl]-5-methyl-1-benzofuran-2-carboxamide is Cc1ccc2oc(C(=O)NC3(CO)CCOCC3)cc2c1.
What is the InChIKey of N-[4-(hydroxymethyl)oxan-4-yl]-5-methyl-1-benzofuran-2-carboxamide?
The InChIKey is GUEHZSMAZGKZCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4/c1-11-2-3-13-12(8-11)9-14(21-13)15(19)17-16(10-18)4-6-20-7-5-16/h2-3,8-9,18H,4-7,10H2,1H3,(H,17,19).
What are the key properties of N-[4-(hydroxymethyl)oxan-4-yl]-5-methyl-1-benzofuran-2-carboxamide?
N-[4-(hydroxymethyl)oxan-4-yl]-5-methyl-1-benzofuran-2-carboxamide has a molecular weight of 289.33 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(hydroxymethyl)oxan-4-yl]-5-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 103954201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).