[3-hydroxy-3-(methoxymethyl)azetidin-1-yl]-(3,4,7-trimethyl-1-benzofuran-2-yl)methanone

C17H21NO4 — CID 122151857

IUPAC[3-hydroxy-3-(methoxymethyl)azetidin-1-yl]-(3,4,7-trimethyl-1-benzofuran-2-yl)methanone
SMILESCOCC1(O)CN(C(=O)c2oc3c(C)ccc(C)c3c2C)C1
InChIInChI=1S/C17H21NO4/c1-10-5-6-11(2)14-13(10)12(3)15(22-14)16(19)18-7-17(20,8-18)9-21-4/h5-6,20H,7-9H2,1-4H3
InChIKeyRVPHTDFJXBVNIH-UHFFFAOYSA-N
MW303.36 g/mol
LogP2.19
Rot. Bonds3

About [3-hydroxy-3-(methoxymethyl)azetidin-1-yl]-(3,4,7-trimethyl-1-benzofuran-2-yl)methanone

[3-hydroxy-3-(methoxymethyl)azetidin-1-yl]-(3,4,7-trimethyl-1-benzofuran-2-yl)methanone (PubChem CID 122151857) has the molecular formula C17H21NO4 and a molecular weight of 303.36 g/mol. Its IUPAC name is [3-hydroxy-3-(methoxymethyl)azetidin-1-yl]-(3,4,7-trimethyl-1-benzofuran-2-yl)methanone.

Molecular Properties

Compound Name[3-hydroxy-3-(methoxymethyl)azetidin-1-yl]-(3,4,7-trimethyl-1-benzofuran-2-yl)methanone
PubChem CID122151857
Molecular FormulaC17H21NO4
Molecular Weight303.36 g/mol
Exact Mass303.15
IUPAC Name[3-hydroxy-3-(methoxymethyl)azetidin-1-yl]-(3,4,7-trimethyl-1-benzofuran-2-yl)methanone
SMILESCOCC1(O)CN(C(=O)c2oc3c(C)ccc(C)c3c2C)C1
InChIInChI=1S/C17H21NO4/c1-10-5-6-11(2)14-13(10)12(3)15(22-14)16(19)18-7-17(20,8-18)9-21-4/h5-6,20H,7-9H2,1-4H3
InChIKeyRVPHTDFJXBVNIH-UHFFFAOYSA-N
XLogP2.19
TPSA62.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-hydroxy-3-(methoxymethyl)azetidin-1-yl]-(3,4,7-trimethyl-1-benzofuran-2-yl)methanone with MolForge

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Related Compounds

morpholin-4-yl-(3,4,7-trimethyl-1-benzofuran-2-yl)methanone
CID 166191080
(4-methylsulfonylpiperazin-1-yl)-(3,4,7-trimethyl-1-benzofuran-2-yl)methanone
CID 47071501
[4-(cyclopropylmethylamino)piperidin-1-yl]-(3,4,7-trimethyl-1-benzofuran-2-yl)methanone;hydrochloride
CID 119625360
ethyl (2S)-2-fluoro-2-[1-(3,4,7-trimethyl-1-benzofuran-2-carbonyl)azetidin-3-yl]acetate
CID 125144131
N-[(1-hydroxycyclopentyl)methyl]-3,4,7-trimethyl-1-benzofuran-2-carboxamide
CID 111331453
2-[4-(3,4,7-trimethyl-1-benzofuran-2-carbonyl)morpholin-2-yl]acetic acid
CID 119248212
(3S)-1-(3,4,7-trimethyl-1-benzofuran-2-carbonyl)pyrrolidine-3-carboxamide
CID 94649811
4-(3,4,7-trimethyl-1-benzofuran-2-carbonyl)morpholine-2-carboxylic acid
CID 119239343
1-[3-hydroxy-3-(methoxymethyl)azetidin-1-yl]ethanone
CID 131009500
3-methyl-2-[4-(3,4,7-trimethyl-1-benzofuran-2-carbonyl)piperazin-1-yl]butanenitrile
CID 56586204
N-ethyl-N,3,4,7-tetramethyl-1-benzofuran-2-carboxamide
CID 60578508
9H-fluoren-9-ylmethyl 3-hydroxy-3-(methoxymethyl)azetidine-1-carboxylate
CID 130962442

Frequently Asked Questions

What is the IUPAC name of [3-hydroxy-3-(methoxymethyl)azetidin-1-yl]-(3,4,7-trimethyl-1-benzofuran-2-yl)methanone?
The IUPAC name of [3-hydroxy-3-(methoxymethyl)azetidin-1-yl]-(3,4,7-trimethyl-1-benzofuran-2-yl)methanone (CID 122151857) is [3-hydroxy-3-(methoxymethyl)azetidin-1-yl]-(3,4,7-trimethyl-1-benzofuran-2-yl)methanone.
What is the SMILES notation for [3-hydroxy-3-(methoxymethyl)azetidin-1-yl]-(3,4,7-trimethyl-1-benzofuran-2-yl)methanone?
The canonical SMILES for [3-hydroxy-3-(methoxymethyl)azetidin-1-yl]-(3,4,7-trimethyl-1-benzofuran-2-yl)methanone is COCC1(O)CN(C(=O)c2oc3c(C)ccc(C)c3c2C)C1.
What is the InChIKey of [3-hydroxy-3-(methoxymethyl)azetidin-1-yl]-(3,4,7-trimethyl-1-benzofuran-2-yl)methanone?
The InChIKey is RVPHTDFJXBVNIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO4/c1-10-5-6-11(2)14-13(10)12(3)15(22-14)16(19)18-7-17(20,8-18)9-21-4/h5-6,20H,7-9H2,1-4H3.
What are the key properties of [3-hydroxy-3-(methoxymethyl)azetidin-1-yl]-(3,4,7-trimethyl-1-benzofuran-2-yl)methanone?
[3-hydroxy-3-(methoxymethyl)azetidin-1-yl]-(3,4,7-trimethyl-1-benzofuran-2-yl)methanone has a molecular weight of 303.36 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-hydroxy-3-(methoxymethyl)azetidin-1-yl]-(3,4,7-trimethyl-1-benzofuran-2-yl)methanone is sourced from PubChem (CID 122151857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).