N-benzyl-2-(3-methylphenoxy)-N-phenylacetamide

C22H21NO2 — CID 112977258

IUPACN-benzyl-2-(3-methylphenoxy)-N-phenylacetamide
SMILESCc1cccc(OCC(=O)N(Cc2ccccc2)c2ccccc2)c1
InChIInChI=1S/C22H21NO2/c1-18-9-8-14-21(15-18)25-17-22(24)23(20-12-6-3-7-13-20)16-19-10-4-2-5-11-19/h2-15H,16-17H2,1H3
InChIKeyGNLXQEOPMWGYFK-UHFFFAOYSA-N
MW331.42 g/mol
LogP4.61
Rot. Bonds6

About N-benzyl-2-(3-methylphenoxy)-N-phenylacetamide

N-benzyl-2-(3-methylphenoxy)-N-phenylacetamide (PubChem CID 112977258) has the molecular formula C22H21NO2 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-benzyl-2-(3-methylphenoxy)-N-phenylacetamide.

Molecular Properties

Compound NameN-benzyl-2-(3-methylphenoxy)-N-phenylacetamide
PubChem CID112977258
Molecular FormulaC22H21NO2
Molecular Weight331.42 g/mol
Exact Mass331.16
IUPAC NameN-benzyl-2-(3-methylphenoxy)-N-phenylacetamide
SMILESCc1cccc(OCC(=O)N(Cc2ccccc2)c2ccccc2)c1
InChIInChI=1S/C22H21NO2/c1-18-9-8-14-21(15-18)25-17-22(24)23(20-12-6-3-7-13-20)16-19-10-4-2-5-11-19/h2-15H,16-17H2,1H3
InChIKeyGNLXQEOPMWGYFK-UHFFFAOYSA-N
XLogP4.61
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-benzyl-N-[3-[2-(N-methylanilino)-2-oxoethoxy]phenyl]acetamide
CID 10573232
2-(1,3-benzodioxol-5-yloxy)-N-benzyl-N-phenylacetamide
CID 112978300
(2R)-2-[benzyl-[2-(3-methylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide
CID 100647121
N-[2-(dimethylamino)ethyl]-2-[3-[(4-methylphenyl)methyl-(2-phenoxyacetyl)amino]phenyl]acetamide
CID 46057198
2-[3-[benzyl-(2-phenoxyacetyl)amino]phenyl]-N-(1-phenylethyl)acetamide
CID 46056741
2-(3-methylphenoxy)-N,N-di(propan-2-yl)acetamide
CID 892170
N-benzyl-2-(4-nitrophenoxy)-N-phenylacetamide
CID 41161693
2-[3-(aminomethyl)phenoxy]-N-methyl-N-phenylacetamide
CID 106485204
N-benzhydryl-N-methyl-2-(3-methylphenoxy)acetamide
CID 8919009
2-(3-chlorophenoxy)-N-ethyl-N-(3-methylphenyl)acetamide
CID 112977302
N-(1,3-benzothiazol-2-yl)-2-(3-methylphenoxy)-N-(pyridin-3-ylmethyl)acetamide
CID 43967171
(2S)-N-methyl-2-[[2-(3-methylphenoxy)acetyl]-[(4-methylphenyl)methyl]amino]-3-phenylpropanamide
CID 100690991

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(3-methylphenoxy)-N-phenylacetamide?
The IUPAC name of N-benzyl-2-(3-methylphenoxy)-N-phenylacetamide (CID 112977258) is N-benzyl-2-(3-methylphenoxy)-N-phenylacetamide.
What is the SMILES notation for N-benzyl-2-(3-methylphenoxy)-N-phenylacetamide?
The canonical SMILES for N-benzyl-2-(3-methylphenoxy)-N-phenylacetamide is Cc1cccc(OCC(=O)N(Cc2ccccc2)c2ccccc2)c1.
What is the InChIKey of N-benzyl-2-(3-methylphenoxy)-N-phenylacetamide?
The InChIKey is GNLXQEOPMWGYFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO2/c1-18-9-8-14-21(15-18)25-17-22(24)23(20-12-6-3-7-13-20)16-19-10-4-2-5-11-19/h2-15H,16-17H2,1H3.
What are the key properties of N-benzyl-2-(3-methylphenoxy)-N-phenylacetamide?
N-benzyl-2-(3-methylphenoxy)-N-phenylacetamide has a molecular weight of 331.42 g/mol, XLogP of 4.61, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(3-methylphenoxy)-N-phenylacetamide is sourced from PubChem (CID 112977258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).