N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]-3-methoxybenzamide

C20H19NO5 — CID 28672057

IUPACN-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ccc(OC)c(-c3ccc(CO)o3)c2)c1
InChIInChI=1S/C20H19NO5/c1-24-15-5-3-4-13(10-15)20(23)21-14-6-8-18(25-2)17(11-14)19-9-7-16(12-22)26-19/h3-11,22H,12H2,1-2H3,(H,21,23)
InChIKeyOCQYENORUJACAL-UHFFFAOYSA-N
MW353.37 g/mol
LogP3.71
Rot. Bonds6

About N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]-3-methoxybenzamide

N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]-3-methoxybenzamide (PubChem CID 28672057) has the molecular formula C20H19NO5 and a molecular weight of 353.37 g/mol. Its IUPAC name is N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]-3-methoxybenzamide
PubChem CID28672057
Molecular FormulaC20H19NO5
Molecular Weight353.37 g/mol
Exact Mass353.13
IUPAC NameN-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ccc(OC)c(-c3ccc(CO)o3)c2)c1
InChIInChI=1S/C20H19NO5/c1-24-15-5-3-4-13(10-15)20(23)21-14-6-8-18(25-2)17(11-14)19-9-7-16(12-22)26-19/h3-11,22H,12H2,1-2H3,(H,21,23)
InChIKeyOCQYENORUJACAL-UHFFFAOYSA-N
XLogP3.71
TPSA80.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethoxy-N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]benzamide
CID 28672132
N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]-3-phenylmethoxybenzamide
CID 28677525
3-bromo-N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]benzamide
CID 28667412
N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxyphenyl]-3,5-dimethoxybenzamide
CID 28675012
3-chloro-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxyphenyl]benzamide
CID 28667496
3-bromo-N-[[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]carbamothioyl]benzamide
CID 28687116
N-[[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]carbamothioyl]benzamide
CID 28686845
N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]-4-(2-methylpropoxy)benzamide
CID 28673042
N-[4-chloro-3-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-propan-2-yloxybenzamide
CID 28672414
N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxyphenyl]naphthalene-2-carboxamide
CID 28668742
(E)-N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 28677867
2-chloro-N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]pyridine-3-carboxamide
CID 28675349

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]-3-methoxybenzamide?
The IUPAC name of N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]-3-methoxybenzamide (CID 28672057) is N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]-3-methoxybenzamide.
What is the SMILES notation for N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]-3-methoxybenzamide?
The canonical SMILES for N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]-3-methoxybenzamide is COc1cccc(C(=O)Nc2ccc(OC)c(-c3ccc(CO)o3)c2)c1.
What is the InChIKey of N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]-3-methoxybenzamide?
The InChIKey is OCQYENORUJACAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO5/c1-24-15-5-3-4-13(10-15)20(23)21-14-6-8-18(25-2)17(11-14)19-9-7-16(12-22)26-19/h3-11,22H,12H2,1-2H3,(H,21,23).
What are the key properties of N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]-3-methoxybenzamide?
N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]-3-methoxybenzamide has a molecular weight of 353.37 g/mol, XLogP of 3.71, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]-3-methoxybenzamide is sourced from PubChem (CID 28672057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).