2-(2,3-dimethylphenoxy)-N-[3-[5-(hydroxymethyl)furan-2-yl]phenyl]acetamide

C21H21NO4 — CID 28675967

IUPAC2-(2,3-dimethylphenoxy)-N-[3-[5-(hydroxymethyl)furan-2-yl]phenyl]acetamide
SMILESCc1cccc(OCC(=O)Nc2cccc(-c3ccc(CO)o3)c2)c1C
InChIInChI=1S/C21H21NO4/c1-14-5-3-8-19(15(14)2)25-13-21(24)22-17-7-4-6-16(11-17)20-10-9-18(12-23)26-20/h3-11,23H,12-13H2,1-2H3,(H,22,24)
InChIKeyFILCROAREYBJIF-UHFFFAOYSA-N
MW351.40 g/mol
LogP4.07
Rot. Bonds6

About 2-(2,3-dimethylphenoxy)-N-[3-[5-(hydroxymethyl)furan-2-yl]phenyl]acetamide

2-(2,3-dimethylphenoxy)-N-[3-[5-(hydroxymethyl)furan-2-yl]phenyl]acetamide (PubChem CID 28675967) has the molecular formula C21H21NO4 and a molecular weight of 351.40 g/mol. Its IUPAC name is 2-(2,3-dimethylphenoxy)-N-[3-[5-(hydroxymethyl)furan-2-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-(2,3-dimethylphenoxy)-N-[3-[5-(hydroxymethyl)furan-2-yl]phenyl]acetamide
PubChem CID28675967
Molecular FormulaC21H21NO4
Molecular Weight351.40 g/mol
Exact Mass351.15
IUPAC Name2-(2,3-dimethylphenoxy)-N-[3-[5-(hydroxymethyl)furan-2-yl]phenyl]acetamide
SMILESCc1cccc(OCC(=O)Nc2cccc(-c3ccc(CO)o3)c2)c1C
InChIInChI=1S/C21H21NO4/c1-14-5-3-8-19(15(14)2)25-13-21(24)22-17-7-4-6-16(11-17)20-10-9-18(12-23)26-20/h3-11,23H,12-13H2,1-2H3,(H,22,24)
InChIKeyFILCROAREYBJIF-UHFFFAOYSA-N
XLogP4.07
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chloro-4,6-dimethylphenoxy)-N-[3-[5-(hydroxymethyl)furan-2-yl]phenyl]acetamide
CID 28676510
N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-2-(2,3-dimethylphenoxy)acetamide
CID 5229076
N-(3-amino-4-methylphenyl)-2-(2,3-dimethylphenoxy)acetamide
CID 28867346
3-[[2-(2,3-dimethylphenoxy)acetyl]amino]benzoic acid
CID 720618
N-[3-[[2-(2,3-dimethylphenoxy)acetyl]amino]phenyl]benzamide
CID 1334409
2-(2,3-dimethylphenoxy)-N-(3-propoxyphenyl)acetamide
CID 17097883
2-(2-chlorophenoxy)-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]acetamide
CID 28676829
2-(2,3-dimethylphenoxy)-N-[4-(phenylcarbamoylamino)phenyl]acetamide
CID 18164294
3-[[2-(2,3-dimethylphenoxy)acetyl]amino]-N,N-diethylbenzamide
CID 31288850
N-[5-[[2-(2,3-dimethylphenoxy)acetyl]amino]-2-methylphenyl]propanamide
CID 46761130
5-[[2-(2,3-dimethylphenoxy)acetyl]amino]-2-hydroxybenzoic acid
CID 28675962
2-(2,3-dimethylphenoxy)-N-(4-methoxyphenyl)acetamide
CID 720608

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylphenoxy)-N-[3-[5-(hydroxymethyl)furan-2-yl]phenyl]acetamide?
The IUPAC name of 2-(2,3-dimethylphenoxy)-N-[3-[5-(hydroxymethyl)furan-2-yl]phenyl]acetamide (CID 28675967) is 2-(2,3-dimethylphenoxy)-N-[3-[5-(hydroxymethyl)furan-2-yl]phenyl]acetamide.
What is the SMILES notation for 2-(2,3-dimethylphenoxy)-N-[3-[5-(hydroxymethyl)furan-2-yl]phenyl]acetamide?
The canonical SMILES for 2-(2,3-dimethylphenoxy)-N-[3-[5-(hydroxymethyl)furan-2-yl]phenyl]acetamide is Cc1cccc(OCC(=O)Nc2cccc(-c3ccc(CO)o3)c2)c1C.
What is the InChIKey of 2-(2,3-dimethylphenoxy)-N-[3-[5-(hydroxymethyl)furan-2-yl]phenyl]acetamide?
The InChIKey is FILCROAREYBJIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO4/c1-14-5-3-8-19(15(14)2)25-13-21(24)22-17-7-4-6-16(11-17)20-10-9-18(12-23)26-20/h3-11,23H,12-13H2,1-2H3,(H,22,24).
What are the key properties of 2-(2,3-dimethylphenoxy)-N-[3-[5-(hydroxymethyl)furan-2-yl]phenyl]acetamide?
2-(2,3-dimethylphenoxy)-N-[3-[5-(hydroxymethyl)furan-2-yl]phenyl]acetamide has a molecular weight of 351.40 g/mol, XLogP of 4.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylphenoxy)-N-[3-[5-(hydroxymethyl)furan-2-yl]phenyl]acetamide is sourced from PubChem (CID 28675967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).