N-[(3-acetamido-2,4-dimethylphenyl)methyl]-2-(2,5-dimethylphenoxy)acetamide

C21H26N2O3 — CID 7474654

IUPACN-[(3-acetamido-2,4-dimethylphenyl)methyl]-2-(2,5-dimethylphenoxy)acetamide
SMILESCC(=O)Nc1c(C)ccc(CNC(=O)COc2cc(C)ccc2C)c1C
InChIInChI=1S/C21H26N2O3/c1-13-6-7-14(2)19(10-13)26-12-20(25)22-11-18-9-8-15(3)21(16(18)4)23-17(5)24/h6-10H,11-12H2,1-5H3,(H,22,25)(H,23,24)
InChIKeyWZFQCRFXSDPPKX-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.57
Rot. Bonds6

About N-[(3-acetamido-2,4-dimethylphenyl)methyl]-2-(2,5-dimethylphenoxy)acetamide

N-[(3-acetamido-2,4-dimethylphenyl)methyl]-2-(2,5-dimethylphenoxy)acetamide (PubChem CID 7474654) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-[(3-acetamido-2,4-dimethylphenyl)methyl]-2-(2,5-dimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(3-acetamido-2,4-dimethylphenyl)methyl]-2-(2,5-dimethylphenoxy)acetamide
PubChem CID7474654
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC NameN-[(3-acetamido-2,4-dimethylphenyl)methyl]-2-(2,5-dimethylphenoxy)acetamide
SMILESCC(=O)Nc1c(C)ccc(CNC(=O)COc2cc(C)ccc2C)c1C
InChIInChI=1S/C21H26N2O3/c1-13-6-7-14(2)19(10-13)26-12-20(25)22-11-18-9-8-15(3)21(16(18)4)23-17(5)24/h6-10H,11-12H2,1-5H3,(H,22,25)(H,23,24)
InChIKeyWZFQCRFXSDPPKX-UHFFFAOYSA-N
XLogP3.57
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-acetamido-2,4-dimethylphenyl)methyl]-2-(2,5-dimethylphenoxy)acetamide?
The IUPAC name of N-[(3-acetamido-2,4-dimethylphenyl)methyl]-2-(2,5-dimethylphenoxy)acetamide (CID 7474654) is N-[(3-acetamido-2,4-dimethylphenyl)methyl]-2-(2,5-dimethylphenoxy)acetamide.
What is the SMILES notation for N-[(3-acetamido-2,4-dimethylphenyl)methyl]-2-(2,5-dimethylphenoxy)acetamide?
The canonical SMILES for N-[(3-acetamido-2,4-dimethylphenyl)methyl]-2-(2,5-dimethylphenoxy)acetamide is CC(=O)Nc1c(C)ccc(CNC(=O)COc2cc(C)ccc2C)c1C.
What is the InChIKey of N-[(3-acetamido-2,4-dimethylphenyl)methyl]-2-(2,5-dimethylphenoxy)acetamide?
The InChIKey is WZFQCRFXSDPPKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-13-6-7-14(2)19(10-13)26-12-20(25)22-11-18-9-8-15(3)21(16(18)4)23-17(5)24/h6-10H,11-12H2,1-5H3,(H,22,25)(H,23,24).
What are the key properties of N-[(3-acetamido-2,4-dimethylphenyl)methyl]-2-(2,5-dimethylphenoxy)acetamide?
N-[(3-acetamido-2,4-dimethylphenyl)methyl]-2-(2,5-dimethylphenoxy)acetamide has a molecular weight of 354.45 g/mol, XLogP of 3.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-acetamido-2,4-dimethylphenyl)methyl]-2-(2,5-dimethylphenoxy)acetamide is sourced from PubChem (CID 7474654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).