N-[3-(furan-3-yl)-3-hydroxypropyl]-3,4-dimethoxybenzamide

C16H19NO5 — CID 121132771

IUPACN-[3-(furan-3-yl)-3-hydroxypropyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCCC(O)c2ccoc2)cc1OC
InChIInChI=1S/C16H19NO5/c1-20-14-4-3-11(9-15(14)21-2)16(19)17-7-5-13(18)12-6-8-22-10-12/h3-4,6,8-10,13,18H,5,7H2,1-2H3,(H,17,19)
InChIKeyFSFRDACNXBRTTD-UHFFFAOYSA-N
MW305.33 g/mol
LogP2.15
Rot. Bonds7

About N-[3-(furan-3-yl)-3-hydroxypropyl]-3,4-dimethoxybenzamide

N-[3-(furan-3-yl)-3-hydroxypropyl]-3,4-dimethoxybenzamide (PubChem CID 121132771) has the molecular formula C16H19NO5 and a molecular weight of 305.33 g/mol. Its IUPAC name is N-[3-(furan-3-yl)-3-hydroxypropyl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[3-(furan-3-yl)-3-hydroxypropyl]-3,4-dimethoxybenzamide
PubChem CID121132771
Molecular FormulaC16H19NO5
Molecular Weight305.33 g/mol
Exact Mass305.13
IUPAC NameN-[3-(furan-3-yl)-3-hydroxypropyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCCC(O)c2ccoc2)cc1OC
InChIInChI=1S/C16H19NO5/c1-20-14-4-3-11(9-15(14)21-2)16(19)17-7-5-13(18)12-6-8-22-10-12/h3-4,6,8-10,13,18H,5,7H2,1-2H3,(H,17,19)
InChIKeyFSFRDACNXBRTTD-UHFFFAOYSA-N
XLogP2.15
TPSA80.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-difluoro-N-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]benzamide
CID 97106229
N-(3-aminobutyl)-3,4-dimethoxybenzamide
CID 63253883
N-[3-(furan-3-yl)-3-hydroxypropyl]-3-(trifluoromethyl)benzamide
CID 71804427
3,4-dimethoxy-N-(2-pyrrol-1-ylethyl)benzamide
CID 110716250
N-(4-chloropentyl)-3,4-dimethoxybenzamide
CID 106129860
N-(4-aminopentyl)-3,4-dimethoxybenzamide
CID 106122930
N-[2-(furan-2-yl)-2-hydroxyethyl]-3,4-dimethoxybenzamide
CID 78867802
N-[2-(ethylamino)ethyl]-3,4-dimethoxybenzamide
CID 55100526
N-(2-aminooxyethyl)-3,4-dimethoxybenzamide
CID 92931840
N-[3-(furan-3-yl)-3-hydroxypropyl]-2-methylsulfanylbenzamide
CID 71804418
1-(2-ethoxyphenyl)-3-[3-(furan-3-yl)-3-hydroxypropyl]urea
CID 121132993
3,4-dimethoxy-N-octadecylbenzamide
CID 20530777

Frequently Asked Questions

What is the IUPAC name of N-[3-(furan-3-yl)-3-hydroxypropyl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[3-(furan-3-yl)-3-hydroxypropyl]-3,4-dimethoxybenzamide (CID 121132771) is N-[3-(furan-3-yl)-3-hydroxypropyl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[3-(furan-3-yl)-3-hydroxypropyl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[3-(furan-3-yl)-3-hydroxypropyl]-3,4-dimethoxybenzamide is COc1ccc(C(=O)NCCC(O)c2ccoc2)cc1OC.
What is the InChIKey of N-[3-(furan-3-yl)-3-hydroxypropyl]-3,4-dimethoxybenzamide?
The InChIKey is FSFRDACNXBRTTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO5/c1-20-14-4-3-11(9-15(14)21-2)16(19)17-7-5-13(18)12-6-8-22-10-12/h3-4,6,8-10,13,18H,5,7H2,1-2H3,(H,17,19).
What are the key properties of N-[3-(furan-3-yl)-3-hydroxypropyl]-3,4-dimethoxybenzamide?
N-[3-(furan-3-yl)-3-hydroxypropyl]-3,4-dimethoxybenzamide has a molecular weight of 305.33 g/mol, XLogP of 2.15, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(furan-3-yl)-3-hydroxypropyl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 121132771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).