N-[2-[acetyl-[(3-methylphenyl)methyl]amino]ethyl]-2-(2-methoxyphenoxy)acetamide

C21H26N2O4 — CID 113054259

IUPACN-[2-[acetyl-[(3-methylphenyl)methyl]amino]ethyl]-2-(2-methoxyphenoxy)acetamide
SMILESCOc1ccccc1OCC(=O)NCCN(Cc1cccc(C)c1)C(C)=O
InChIInChI=1S/C21H26N2O4/c1-16-7-6-8-18(13-16)14-23(17(2)24)12-11-22-21(25)15-27-20-10-5-4-9-19(20)26-3/h4-10,13H,11-12,14-15H2,1-3H3,(H,22,25)
InChIKeyQZQMZEKNNKNMBV-UHFFFAOYSA-N
MW370.45 g/mol
LogP2.55
Rot. Bonds9

About N-[2-[acetyl-[(3-methylphenyl)methyl]amino]ethyl]-2-(2-methoxyphenoxy)acetamide

N-[2-[acetyl-[(3-methylphenyl)methyl]amino]ethyl]-2-(2-methoxyphenoxy)acetamide (PubChem CID 113054259) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is N-[2-[acetyl-[(3-methylphenyl)methyl]amino]ethyl]-2-(2-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[2-[acetyl-[(3-methylphenyl)methyl]amino]ethyl]-2-(2-methoxyphenoxy)acetamide
PubChem CID113054259
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC NameN-[2-[acetyl-[(3-methylphenyl)methyl]amino]ethyl]-2-(2-methoxyphenoxy)acetamide
SMILESCOc1ccccc1OCC(=O)NCCN(Cc1cccc(C)c1)C(C)=O
InChIInChI=1S/C21H26N2O4/c1-16-7-6-8-18(13-16)14-23(17(2)24)12-11-22-21(25)15-27-20-10-5-4-9-19(20)26-3/h4-10,13H,11-12,14-15H2,1-3H3,(H,22,25)
InChIKeyQZQMZEKNNKNMBV-UHFFFAOYSA-N
XLogP2.55
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methoxyphenoxy)-N-[2-(3-methylphenyl)ethyl]acetamide
CID 110288618
N-[2-[acetyl(furan-2-ylmethyl)amino]ethyl]-2-(2-methoxyphenoxy)acetamide
CID 113053908
N-[2-[acetyl(3-methylbutyl)amino]ethyl]-2-(2-methoxyphenoxy)acetamide
CID 113056855
2-[[2-(2-methoxyphenoxy)acetyl]amino]-N-[(3-methylphenyl)methyl]acetamide
CID 112992172
N-[2-[acetyl(tert-butyl)amino]ethyl]-2-(2-methoxyphenoxy)acetamide
CID 113056601
N-[2-[acetyl-[(3-methylphenyl)methyl]amino]ethyl]-2-ethylbutanamide
CID 113054219
2-[[2-(2-methoxyphenoxy)acetyl]-[(3-methylphenyl)methyl]amino]-N-(2-methylpropyl)butanamide
CID 132710381
N-[2-(N-acetyl-4-fluoroanilino)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 113059329
N-[2-[acetyl-[(3-methylphenyl)methyl]amino]ethyl]-2-chlorobenzamide
CID 113054251
N-[2-(N-acetyl-3,4-difluoroanilino)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 113064642
N-[2-[acetyl-[(2-methoxyphenyl)methyl]amino]ethyl]-2-(3-fluorophenyl)acetamide
CID 113054955
N-[2-[acetyl-[(3-methylphenyl)methyl]amino]ethyl]-4-tert-butylbenzamide
CID 113054239

Frequently Asked Questions

What is the IUPAC name of N-[2-[acetyl-[(3-methylphenyl)methyl]amino]ethyl]-2-(2-methoxyphenoxy)acetamide?
The IUPAC name of N-[2-[acetyl-[(3-methylphenyl)methyl]amino]ethyl]-2-(2-methoxyphenoxy)acetamide (CID 113054259) is N-[2-[acetyl-[(3-methylphenyl)methyl]amino]ethyl]-2-(2-methoxyphenoxy)acetamide.
What is the SMILES notation for N-[2-[acetyl-[(3-methylphenyl)methyl]amino]ethyl]-2-(2-methoxyphenoxy)acetamide?
The canonical SMILES for N-[2-[acetyl-[(3-methylphenyl)methyl]amino]ethyl]-2-(2-methoxyphenoxy)acetamide is COc1ccccc1OCC(=O)NCCN(Cc1cccc(C)c1)C(C)=O.
What is the InChIKey of N-[2-[acetyl-[(3-methylphenyl)methyl]amino]ethyl]-2-(2-methoxyphenoxy)acetamide?
The InChIKey is QZQMZEKNNKNMBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-16-7-6-8-18(13-16)14-23(17(2)24)12-11-22-21(25)15-27-20-10-5-4-9-19(20)26-3/h4-10,13H,11-12,14-15H2,1-3H3,(H,22,25).
What are the key properties of N-[2-[acetyl-[(3-methylphenyl)methyl]amino]ethyl]-2-(2-methoxyphenoxy)acetamide?
N-[2-[acetyl-[(3-methylphenyl)methyl]amino]ethyl]-2-(2-methoxyphenoxy)acetamide has a molecular weight of 370.45 g/mol, XLogP of 2.55, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[acetyl-[(3-methylphenyl)methyl]amino]ethyl]-2-(2-methoxyphenoxy)acetamide is sourced from PubChem (CID 113054259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).