N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-2-(methoxymethyl)benzamide

C18H23NO4 — CID 111479126

IUPACN-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-2-(methoxymethyl)benzamide
SMILESCOCc1ccccc1C(=O)NCC(C)(O)c1cc(C)oc1C
InChIInChI=1S/C18H23NO4/c1-12-9-16(13(2)23-12)18(3,21)11-19-17(20)15-8-6-5-7-14(15)10-22-4/h5-9,21H,10-11H2,1-4H3,(H,19,20)
InChIKeyXOLKOPWVKABDSR-UHFFFAOYSA-N
MW317.39 g/mol
LogP2.68
Rot. Bonds6

About N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-2-(methoxymethyl)benzamide

N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-2-(methoxymethyl)benzamide (PubChem CID 111479126) has the molecular formula C18H23NO4 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-2-(methoxymethyl)benzamide.

Molecular Properties

Compound NameN-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-2-(methoxymethyl)benzamide
PubChem CID111479126
Molecular FormulaC18H23NO4
Molecular Weight317.39 g/mol
Exact Mass317.16
IUPAC NameN-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-2-(methoxymethyl)benzamide
SMILESCOCc1ccccc1C(=O)NCC(C)(O)c1cc(C)oc1C
InChIInChI=1S/C18H23NO4/c1-12-9-16(13(2)23-12)18(3,21)11-19-17(20)15-8-6-5-7-14(15)10-22-4/h5-9,21H,10-11H2,1-4H3,(H,19,20)
InChIKeyXOLKOPWVKABDSR-UHFFFAOYSA-N
XLogP2.68
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1H-indole-7-carboxamide
CID 111478785
2,5-dichloro-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]benzamide
CID 111479091
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-hydroxybenzamide
CID 110025605
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]quinoline-4-carboxamide
CID 111478851
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-2-fluoro-5-methylbenzamide
CID 111479170
N-[2-[[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]amino]-2-oxoethyl]-2-phenylacetamide
CID 111479033
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1-methylindole-4-carboxamide
CID 111479014
N-[(2S)-2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 96518388
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-5-fluoro-2-hydroxybenzamide
CID 111860663
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]acetamide
CID 111478975
(2R)-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-2-hydroxy-2-phenylacetamide
CID 122132789
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1-methylpyrrole-2-carboxamide
CID 71985014

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-2-(methoxymethyl)benzamide?
The IUPAC name of N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-2-(methoxymethyl)benzamide (CID 111479126) is N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-2-(methoxymethyl)benzamide.
What is the SMILES notation for N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-2-(methoxymethyl)benzamide?
The canonical SMILES for N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-2-(methoxymethyl)benzamide is COCc1ccccc1C(=O)NCC(C)(O)c1cc(C)oc1C.
What is the InChIKey of N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-2-(methoxymethyl)benzamide?
The InChIKey is XOLKOPWVKABDSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO4/c1-12-9-16(13(2)23-12)18(3,21)11-19-17(20)15-8-6-5-7-14(15)10-22-4/h5-9,21H,10-11H2,1-4H3,(H,19,20).
What are the key properties of N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-2-(methoxymethyl)benzamide?
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-2-(methoxymethyl)benzamide has a molecular weight of 317.39 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-2-(methoxymethyl)benzamide is sourced from PubChem (CID 111479126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).