3-methyl-N-[3-(3-methylphenoxy)propyl]-1-benzofuran-2-carboxamide

C20H21NO3 — CID 27040449

IUPAC3-methyl-N-[3-(3-methylphenoxy)propyl]-1-benzofuran-2-carboxamide
SMILESCc1cccc(OCCCNC(=O)c2oc3ccccc3c2C)c1
InChIInChI=1S/C20H21NO3/c1-14-7-5-8-16(13-14)23-12-6-11-21-20(22)19-15(2)17-9-3-4-10-18(17)24-19/h3-5,7-10,13H,6,11-12H2,1-2H3,(H,21,22)
InChIKeyDGNUBUUFPSNXGN-UHFFFAOYSA-N
MW323.39 g/mol
LogP4.25
Rot. Bonds6

About 3-methyl-N-[3-(3-methylphenoxy)propyl]-1-benzofuran-2-carboxamide

3-methyl-N-[3-(3-methylphenoxy)propyl]-1-benzofuran-2-carboxamide (PubChem CID 27040449) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is 3-methyl-N-[3-(3-methylphenoxy)propyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[3-(3-methylphenoxy)propyl]-1-benzofuran-2-carboxamide
PubChem CID27040449
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC Name3-methyl-N-[3-(3-methylphenoxy)propyl]-1-benzofuran-2-carboxamide
SMILESCc1cccc(OCCCNC(=O)c2oc3ccccc3c2C)c1
InChIInChI=1S/C20H21NO3/c1-14-7-5-8-16(13-14)23-12-6-11-21-20(22)19-15(2)17-9-3-4-10-18(17)24-19/h3-5,7-10,13H,6,11-12H2,1-2H3,(H,21,22)
InChIKeyDGNUBUUFPSNXGN-UHFFFAOYSA-N
XLogP4.25
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-methyl-N-[2-(4-methylphenoxy)ethyl]-1-benzofuran-2-carboxamide
CID 9088716
4-[(3-methyl-1-benzofuran-2-carbonyl)amino]butanoic acid
CID 43239246
5-methoxy-2-methyl-N-[3-(3-methylphenoxy)propyl]-1-benzofuran-3-carboxamide
CID 55789548
N-(3-formamidopropyl)-3-methyl-1-benzofuran-2-carboxamide
CID 108793579
3-methyl-N-(3-methylbutyl)-1-benzofuran-2-carboxamide
CID 51172700
2-(3-methylphenoxy)-N-[3-(3-methylphenoxy)propyl]acetamide
CID 24533364
3-methoxy-N-[3-(3-methylphenoxy)propyl]benzamide
CID 24533352
5-chloro-N-[2-(3-methylphenoxy)ethyl]furan-2-carboxamide
CID 32754386
3-(benzenesulfonylmethyl)-N-[2-(3-methylphenoxy)ethyl]furan-2-carboxamide
CID 46665187
(2S)-N-[3-(3-methylphenoxy)propyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 35888292
N-[3-(3-methylphenoxy)propyl]-4-[(R)-methylsulfinyl]benzamide
CID 30299875
3-methyl-N'-[2-(2-phenoxyethoxy)benzoyl]-1-benzofuran-2-carbohydrazide
CID 27685461

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[3-(3-methylphenoxy)propyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 3-methyl-N-[3-(3-methylphenoxy)propyl]-1-benzofuran-2-carboxamide (CID 27040449) is 3-methyl-N-[3-(3-methylphenoxy)propyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[3-(3-methylphenoxy)propyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-methyl-N-[3-(3-methylphenoxy)propyl]-1-benzofuran-2-carboxamide is Cc1cccc(OCCCNC(=O)c2oc3ccccc3c2C)c1.
What is the InChIKey of 3-methyl-N-[3-(3-methylphenoxy)propyl]-1-benzofuran-2-carboxamide?
The InChIKey is DGNUBUUFPSNXGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3/c1-14-7-5-8-16(13-14)23-12-6-11-21-20(22)19-15(2)17-9-3-4-10-18(17)24-19/h3-5,7-10,13H,6,11-12H2,1-2H3,(H,21,22).
What are the key properties of 3-methyl-N-[3-(3-methylphenoxy)propyl]-1-benzofuran-2-carboxamide?
3-methyl-N-[3-(3-methylphenoxy)propyl]-1-benzofuran-2-carboxamide has a molecular weight of 323.39 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[3-(3-methylphenoxy)propyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 27040449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).