N-[2-(furan-2-yl)-2-hydroxyethyl]-3,4-dimethoxybenzamide

C15H17NO5 — CID 78867802

IUPACN-[2-(furan-2-yl)-2-hydroxyethyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCC(O)c2ccco2)cc1OC
InChIInChI=1S/C15H17NO5/c1-19-13-6-5-10(8-14(13)20-2)15(18)16-9-11(17)12-4-3-7-21-12/h3-8,11,17H,9H2,1-2H3,(H,16,18)
InChIKeyCSMDFEUBRQNWPJ-UHFFFAOYSA-N
MW291.30 g/mol
LogP1.76
Rot. Bonds6

About N-[2-(furan-2-yl)-2-hydroxyethyl]-3,4-dimethoxybenzamide

N-[2-(furan-2-yl)-2-hydroxyethyl]-3,4-dimethoxybenzamide (PubChem CID 78867802) has the molecular formula C15H17NO5 and a molecular weight of 291.30 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-2-hydroxyethyl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)-2-hydroxyethyl]-3,4-dimethoxybenzamide
PubChem CID78867802
Molecular FormulaC15H17NO5
Molecular Weight291.30 g/mol
Exact Mass291.11
IUPAC NameN-[2-(furan-2-yl)-2-hydroxyethyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCC(O)c2ccco2)cc1OC
InChIInChI=1S/C15H17NO5/c1-19-13-6-5-10(8-14(13)20-2)15(18)16-9-11(17)12-4-3-7-21-12/h3-8,11,17H,9H2,1-2H3,(H,16,18)
InChIKeyCSMDFEUBRQNWPJ-UHFFFAOYSA-N
XLogP1.76
TPSA80.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-ethoxy-3-methoxybenzamide
CID 51162709
3,4-dichloro-N-[2-(furan-2-yl)-2-hydroxyethyl]benzamide
CID 110889301
N-[(2R)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-3,4-dimethoxybenzamide
CID 7178892
N-[[3-[[(3,4-dimethoxybenzoyl)amino]methyl]phenyl]methyl]-3,4-dimethoxybenzamide
CID 2841934
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-3,4-diethoxybenzamide
CID 90613391
4-fluoro-N-[(2R,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-methoxybenzamide
CID 97328495
1-ethyl-N-[2-(furan-2-yl)-2-hydroxyethyl]benzotriazole-5-carboxamide
CID 86981112
N-[(2S)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-3-fluoro-4-methoxybenzamide
CID 99903135
4-[ethyl(methyl)amino]-N-[2-(furan-2-yl)-2-hydroxyethyl]benzamide
CID 110908170
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzamide
CID 55332179
N-[2-(furan-2-yl)-2-hydroxyethyl]-3-(methanesulfonamido)benzamide
CID 78868922
N-[(1R)-1-(furan-2-yl)ethyl]-3-methoxy-4-phenylmethoxybenzamide
CID 9481817

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)-2-hydroxyethyl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[2-(furan-2-yl)-2-hydroxyethyl]-3,4-dimethoxybenzamide (CID 78867802) is N-[2-(furan-2-yl)-2-hydroxyethyl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[2-(furan-2-yl)-2-hydroxyethyl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[2-(furan-2-yl)-2-hydroxyethyl]-3,4-dimethoxybenzamide is COc1ccc(C(=O)NCC(O)c2ccco2)cc1OC.
What is the InChIKey of N-[2-(furan-2-yl)-2-hydroxyethyl]-3,4-dimethoxybenzamide?
The InChIKey is CSMDFEUBRQNWPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO5/c1-19-13-6-5-10(8-14(13)20-2)15(18)16-9-11(17)12-4-3-7-21-12/h3-8,11,17H,9H2,1-2H3,(H,16,18).
What are the key properties of N-[2-(furan-2-yl)-2-hydroxyethyl]-3,4-dimethoxybenzamide?
N-[2-(furan-2-yl)-2-hydroxyethyl]-3,4-dimethoxybenzamide has a molecular weight of 291.30 g/mol, XLogP of 1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)-2-hydroxyethyl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 78867802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).