N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2,4-dimethoxybenzamide

C18H23NO5 — CID 121133086

IUPACN-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCCC(O)c2cc(C)oc2C)c(OC)c1
InChIInChI=1S/C18H23NO5/c1-11-9-15(12(2)24-11)16(20)7-8-19-18(21)14-6-5-13(22-3)10-17(14)23-4/h5-6,9-10,16,20H,7-8H2,1-4H3,(H,19,21)
InChIKeyFOKDJVJJDJURAF-UHFFFAOYSA-N
MW333.38 g/mol
LogP2.77
Rot. Bonds7

About N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2,4-dimethoxybenzamide

N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2,4-dimethoxybenzamide (PubChem CID 121133086) has the molecular formula C18H23NO5 and a molecular weight of 333.38 g/mol. Its IUPAC name is N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2,4-dimethoxybenzamide
PubChem CID121133086
Molecular FormulaC18H23NO5
Molecular Weight333.38 g/mol
Exact Mass333.16
IUPAC NameN-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCCC(O)c2cc(C)oc2C)c(OC)c1
InChIInChI=1S/C18H23NO5/c1-11-9-15(12(2)24-11)16(20)7-8-19-18(21)14-6-5-13(22-3)10-17(14)23-4/h5-6,9-10,16,20H,7-8H2,1-4H3,(H,19,21)
InChIKeyFOKDJVJJDJURAF-UHFFFAOYSA-N
XLogP2.77
TPSA80.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.38
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2,5-dimethylfuran-3-carboxamide
CID 121133032
N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2,4-dimethylbenzamide
CID 121133041
2-chloro-N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]benzamide
CID 121133050
N-[(3R)-3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2-fluorobenzamide
CID 97042845
N-(3-hydroxy-4-methoxybutyl)-2,4-dimethoxybenzamide
CID 103877168
N-(3-chlorobutyl)-2,4-dimethoxybenzamide
CID 114301807
N-(2-hydroxyethyl)-2,4-dimethoxybenzamide
CID 43389009
N-[6-[(2,4-dimethoxybenzoyl)amino]hexyl]-2,4-dimethoxybenzamide
CID 4051354
N-[8-[(2,4-dimethoxybenzoyl)amino]octyl]-2,4-dimethoxybenzamide
CID 3517424
N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2,4,6-trimethylbenzamide
CID 121133057
N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2-ethylbutanamide
CID 121133019
N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2-methyl-3-nitrobenzamide
CID 121133079

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2,4-dimethoxybenzamide?
The IUPAC name of N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2,4-dimethoxybenzamide (CID 121133086) is N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2,4-dimethoxybenzamide.
What is the SMILES notation for N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2,4-dimethoxybenzamide?
The canonical SMILES for N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2,4-dimethoxybenzamide is COc1ccc(C(=O)NCCC(O)c2cc(C)oc2C)c(OC)c1.
What is the InChIKey of N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2,4-dimethoxybenzamide?
The InChIKey is FOKDJVJJDJURAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO5/c1-11-9-15(12(2)24-11)16(20)7-8-19-18(21)14-6-5-13(22-3)10-17(14)23-4/h5-6,9-10,16,20H,7-8H2,1-4H3,(H,19,21).
What are the key properties of N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2,4-dimethoxybenzamide?
N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2,4-dimethoxybenzamide has a molecular weight of 333.38 g/mol, XLogP of 2.77, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2,4-dimethoxybenzamide is sourced from PubChem (CID 121133086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).