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

C21H21NO5 — CID 28672132

IUPAC3-ethoxy-N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]benzamide
SMILESCCOc1cccc(C(=O)Nc2ccc(OC)c(-c3ccc(CO)o3)c2)c1
InChIInChI=1S/C21H21NO5/c1-3-26-16-6-4-5-14(11-16)21(24)22-15-7-9-19(25-2)18(12-15)20-10-8-17(13-23)27-20/h4-12,23H,3,13H2,1-2H3,(H,22,24)
InChIKeyYNGXTPSZXIGLLM-UHFFFAOYSA-N
MW367.40 g/mol
LogP4.10
Rot. Bonds7

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

3-ethoxy-N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]benzamide (PubChem CID 28672132) has the molecular formula C21H21NO5 and a molecular weight of 367.40 g/mol. Its IUPAC name is 3-ethoxy-N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]benzamide.

Molecular Properties

Compound Name3-ethoxy-N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]benzamide
PubChem CID28672132
Molecular FormulaC21H21NO5
Molecular Weight367.40 g/mol
Exact Mass367.14
IUPAC Name3-ethoxy-N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]benzamide
SMILESCCOc1cccc(C(=O)Nc2ccc(OC)c(-c3ccc(CO)o3)c2)c1
InChIInChI=1S/C21H21NO5/c1-3-26-16-6-4-5-14(11-16)21(24)22-15-7-9-19(25-2)18(12-15)20-10-8-17(13-23)27-20/h4-12,23H,3,13H2,1-2H3,(H,22,24)
InChIKeyYNGXTPSZXIGLLM-UHFFFAOYSA-N
XLogP4.10
TPSA80.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]-3-methoxybenzamide
CID 28672057
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
3-bromo-N-[[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]carbamothioyl]benzamide
CID 28687116
N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]-4-(2-methylpropoxy)benzamide
CID 28673042
3-butoxy-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methylphenyl]benzamide
CID 28672317
3-chloro-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxyphenyl]benzamide
CID 28667496
N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxyphenyl]-3,5-dimethoxybenzamide
CID 28675012
N-[[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]carbamothioyl]benzamide
CID 28686845
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
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 3-ethoxy-N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]benzamide?
The IUPAC name of 3-ethoxy-N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]benzamide (CID 28672132) is 3-ethoxy-N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]benzamide.
What is the SMILES notation for 3-ethoxy-N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]benzamide?
The canonical SMILES for 3-ethoxy-N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]benzamide is CCOc1cccc(C(=O)Nc2ccc(OC)c(-c3ccc(CO)o3)c2)c1.
What is the InChIKey of 3-ethoxy-N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]benzamide?
The InChIKey is YNGXTPSZXIGLLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO5/c1-3-26-16-6-4-5-14(11-16)21(24)22-15-7-9-19(25-2)18(12-15)20-10-8-17(13-23)27-20/h4-12,23H,3,13H2,1-2H3,(H,22,24).
What are the key properties of 3-ethoxy-N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]benzamide?
3-ethoxy-N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]benzamide has a molecular weight of 367.40 g/mol, XLogP of 4.10, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]benzamide is sourced from PubChem (CID 28672132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).