N-benzyl-2-(3,5-dimethylphenoxy)-N-(furan-2-ylmethyl)acetamide

C22H23NO3 — CID 18830858

IUPACN-benzyl-2-(3,5-dimethylphenoxy)-N-(furan-2-ylmethyl)acetamide
SMILESCc1cc(C)cc(OCC(=O)N(Cc2ccccc2)Cc2ccco2)c1
InChIInChI=1S/C22H23NO3/c1-17-11-18(2)13-21(12-17)26-16-22(24)23(15-20-9-6-10-25-20)14-19-7-4-3-5-8-19/h3-13H,14-16H2,1-2H3
InChIKeyNKPLZMFNEVEKPP-UHFFFAOYSA-N
MW349.43 g/mol
LogP4.50
Rot. Bonds7

About N-benzyl-2-(3,5-dimethylphenoxy)-N-(furan-2-ylmethyl)acetamide

N-benzyl-2-(3,5-dimethylphenoxy)-N-(furan-2-ylmethyl)acetamide (PubChem CID 18830858) has the molecular formula C22H23NO3 and a molecular weight of 349.43 g/mol. Its IUPAC name is N-benzyl-2-(3,5-dimethylphenoxy)-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-(3,5-dimethylphenoxy)-N-(furan-2-ylmethyl)acetamide
PubChem CID18830858
Molecular FormulaC22H23NO3
Molecular Weight349.43 g/mol
Exact Mass349.17
IUPAC NameN-benzyl-2-(3,5-dimethylphenoxy)-N-(furan-2-ylmethyl)acetamide
SMILESCc1cc(C)cc(OCC(=O)N(Cc2ccccc2)Cc2ccco2)c1
InChIInChI=1S/C22H23NO3/c1-17-11-18(2)13-21(12-17)26-16-22(24)23(15-20-9-6-10-25-20)14-19-7-4-3-5-8-19/h3-13H,14-16H2,1-2H3
InChIKeyNKPLZMFNEVEKPP-UHFFFAOYSA-N
XLogP4.50
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-(4-ethoxyphenoxy)-N-(furan-2-ylmethyl)acetamide
CID 99141396
N-benzyl-2-(4-tert-butylphenoxy)-N-(furan-2-ylmethyl)acetamide
CID 18830857
N-benzyl-2-ethoxy-N-(furan-2-ylmethyl)acetamide
CID 52556901
N-benzyl-2-(3,5-dimethylphenoxy)-N-(furan-2-ylmethyl)propanamide
CID 18830852
N-benzyl-2-[[2-(4-chlorophenoxy)acetyl]-(2-methylpropyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 4161219
N-(furan-2-ylmethyl)-2-phenoxy-N-(pyridin-2-ylmethyl)acetamide
CID 121084642
N-benzyl-N-(furan-2-ylmethyl)-2-(methylamino)acetamide;hydrochloride
CID 120703561
1-(furan-2-ylmethyl)-1-[(4-phenoxyphenyl)methyl]-3-(2,4,6-trimethylphenyl)urea
CID 67698513
2-(4-benzylphenoxy)-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 60611370
N,N-bis(furan-2-ylmethyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 112767079
N-benzyl-N-(furan-2-ylmethyl)-2-[(2-phenylmethoxyacetyl)-propylamino]acetamide
CID 42773035
N-(furan-2-ylmethyl)-2-(3-methylphenoxy)-N-(2-thiophen-2-ylethyl)acetamide
CID 90495647

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(3,5-dimethylphenoxy)-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of N-benzyl-2-(3,5-dimethylphenoxy)-N-(furan-2-ylmethyl)acetamide (CID 18830858) is N-benzyl-2-(3,5-dimethylphenoxy)-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for N-benzyl-2-(3,5-dimethylphenoxy)-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for N-benzyl-2-(3,5-dimethylphenoxy)-N-(furan-2-ylmethyl)acetamide is Cc1cc(C)cc(OCC(=O)N(Cc2ccccc2)Cc2ccco2)c1.
What is the InChIKey of N-benzyl-2-(3,5-dimethylphenoxy)-N-(furan-2-ylmethyl)acetamide?
The InChIKey is NKPLZMFNEVEKPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO3/c1-17-11-18(2)13-21(12-17)26-16-22(24)23(15-20-9-6-10-25-20)14-19-7-4-3-5-8-19/h3-13H,14-16H2,1-2H3.
What are the key properties of N-benzyl-2-(3,5-dimethylphenoxy)-N-(furan-2-ylmethyl)acetamide?
N-benzyl-2-(3,5-dimethylphenoxy)-N-(furan-2-ylmethyl)acetamide has a molecular weight of 349.43 g/mol, XLogP of 4.50, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(3,5-dimethylphenoxy)-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 18830858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).