2-ethoxy-N-[3-(furan-3-yl)-3-hydroxypropyl]benzamide

C16H19NO4 — CID 71804415

IUPAC2-ethoxy-N-[3-(furan-3-yl)-3-hydroxypropyl]benzamide
SMILESCCOc1ccccc1C(=O)NCCC(O)c1ccoc1
InChIInChI=1S/C16H19NO4/c1-2-21-15-6-4-3-5-13(15)16(19)17-9-7-14(18)12-8-10-20-11-12/h3-6,8,10-11,14,18H,2,7,9H2,1H3,(H,17,19)
InChIKeyFMDQJRNJGNHWGM-UHFFFAOYSA-N
MW289.33 g/mol
LogP2.53
Rot. Bonds7

About 2-ethoxy-N-[3-(furan-3-yl)-3-hydroxypropyl]benzamide

2-ethoxy-N-[3-(furan-3-yl)-3-hydroxypropyl]benzamide (PubChem CID 71804415) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is 2-ethoxy-N-[3-(furan-3-yl)-3-hydroxypropyl]benzamide.

Molecular Properties

Compound Name2-ethoxy-N-[3-(furan-3-yl)-3-hydroxypropyl]benzamide
PubChem CID71804415
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Name2-ethoxy-N-[3-(furan-3-yl)-3-hydroxypropyl]benzamide
SMILESCCOc1ccccc1C(=O)NCCC(O)c1ccoc1
InChIInChI=1S/C16H19NO4/c1-2-21-15-6-4-3-5-13(15)16(19)17-9-7-14(18)12-8-10-20-11-12/h3-6,8,10-11,14,18H,2,7,9H2,1H3,(H,17,19)
InChIKeyFMDQJRNJGNHWGM-UHFFFAOYSA-N
XLogP2.53
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-ethoxyphenyl)-3-[3-(furan-3-yl)-3-hydroxypropyl]urea
CID 121132993
N-[3-(furan-3-yl)-3-hydroxypropyl]-2-methylsulfanylbenzamide
CID 71804418
N-(3-aminobutyl)-2-ethoxybenzamide
CID 63253543
N-[3-(furan-3-yl)-3-hydroxypropyl]-2-methylsulfanylpyridine-3-carboxamide
CID 121132753
2-ethoxy-N-(3-hydroxy-4-methoxybutyl)benzamide
CID 103876954
N-[3-(furan-3-yl)-3-hydroxypropyl]-3,4-dimethoxybenzamide
CID 121132771
2-ethoxy-N-(2-hydroxyethyl)benzamide
CID 4088522
methyl 4-[[(3R)-3-(furan-3-yl)-3-hydroxypropyl]carbamoyl]benzoate
CID 97106259
1-benzhydryl-3-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]urea
CID 97106424
N-(3-bromo-4-methoxybutyl)-2-ethoxybenzamide
CID 106245092
3-[(2-ethoxybenzoyl)amino]propanoic acid
CID 665917
1-[(3R)-3-(furan-3-yl)-3-hydroxypropyl]-3-(2-methylphenyl)urea
CID 97106401

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[3-(furan-3-yl)-3-hydroxypropyl]benzamide?
The IUPAC name of 2-ethoxy-N-[3-(furan-3-yl)-3-hydroxypropyl]benzamide (CID 71804415) is 2-ethoxy-N-[3-(furan-3-yl)-3-hydroxypropyl]benzamide.
What is the SMILES notation for 2-ethoxy-N-[3-(furan-3-yl)-3-hydroxypropyl]benzamide?
The canonical SMILES for 2-ethoxy-N-[3-(furan-3-yl)-3-hydroxypropyl]benzamide is CCOc1ccccc1C(=O)NCCC(O)c1ccoc1.
What is the InChIKey of 2-ethoxy-N-[3-(furan-3-yl)-3-hydroxypropyl]benzamide?
The InChIKey is FMDQJRNJGNHWGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4/c1-2-21-15-6-4-3-5-13(15)16(19)17-9-7-14(18)12-8-10-20-11-12/h3-6,8,10-11,14,18H,2,7,9H2,1H3,(H,17,19).
What are the key properties of 2-ethoxy-N-[3-(furan-3-yl)-3-hydroxypropyl]benzamide?
2-ethoxy-N-[3-(furan-3-yl)-3-hydroxypropyl]benzamide has a molecular weight of 289.33 g/mol, XLogP of 2.53, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[3-(furan-3-yl)-3-hydroxypropyl]benzamide is sourced from PubChem (CID 71804415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).