N-[(4-acetamidophenyl)methyl]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide

C21H26N2O3 — CID 24685838

IUPACN-[(4-acetamidophenyl)methyl]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
SMILESCC(=O)Nc1ccc(CNC(=O)COc2cc(C(C)C)ccc2C)cc1
InChIInChI=1S/C21H26N2O3/c1-14(2)18-8-5-15(3)20(11-18)26-13-21(25)22-12-17-6-9-19(10-7-17)23-16(4)24/h5-11,14H,12-13H2,1-4H3,(H,22,25)(H,23,24)
InChIKeyYHXVDOVIRANMOQ-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.77
Rot. Bonds7

About N-[(4-acetamidophenyl)methyl]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide

N-[(4-acetamidophenyl)methyl]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide (PubChem CID 24685838) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-[(4-acetamidophenyl)methyl]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(4-acetamidophenyl)methyl]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
PubChem CID24685838
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC NameN-[(4-acetamidophenyl)methyl]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
SMILESCC(=O)Nc1ccc(CNC(=O)COc2cc(C(C)C)ccc2C)cc1
InChIInChI=1S/C21H26N2O3/c1-14(2)18-8-5-15(3)20(11-18)26-13-21(25)22-12-17-6-9-19(10-7-17)23-16(4)24/h5-11,14H,12-13H2,1-4H3,(H,22,25)(H,23,24)
InChIKeyYHXVDOVIRANMOQ-UHFFFAOYSA-N
XLogP3.77
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
CID 42966353
N-[4-(cyanomethyl)phenyl]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
CID 9260247
N-[(4-acetamidophenyl)methyl]-2-(2-propan-2-ylphenoxy)acetamide
CID 18153975
N-[2-(4-chlorophenyl)ethyl]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
CID 18293065
2-(2-methyl-5-propan-2-ylphenoxy)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]acetamide
CID 55534225
2-(2-methyl-5-propan-2-ylphenoxy)-N-propan-2-ylacetamide
CID 78906214
ethyl 4-[[2-(2-methyl-5-propan-2-ylphenoxy)acetyl]amino]benzoate
CID 7128264
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
CID 16545149
N-(2-cyanoethyl)-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
CID 78909836
N-[(4-acetamidophenyl)methyl]-2-propan-2-yloxyacetamide
CID 47412659
2-(4-methoxyanilino)-N'-[2-(2-methyl-5-propan-2-ylphenoxy)acetyl]acetohydrazide
CID 55351010
N-[(4-acetamidophenyl)methyl]-2-methoxyacetamide
CID 29327648

Frequently Asked Questions

What is the IUPAC name of N-[(4-acetamidophenyl)methyl]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-[(4-acetamidophenyl)methyl]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide (CID 24685838) is N-[(4-acetamidophenyl)methyl]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-[(4-acetamidophenyl)methyl]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-[(4-acetamidophenyl)methyl]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide is CC(=O)Nc1ccc(CNC(=O)COc2cc(C(C)C)ccc2C)cc1.
What is the InChIKey of N-[(4-acetamidophenyl)methyl]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide?
The InChIKey is YHXVDOVIRANMOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-14(2)18-8-5-15(3)20(11-18)26-13-21(25)22-12-17-6-9-19(10-7-17)23-16(4)24/h5-11,14H,12-13H2,1-4H3,(H,22,25)(H,23,24).
What are the key properties of N-[(4-acetamidophenyl)methyl]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide?
N-[(4-acetamidophenyl)methyl]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide has a molecular weight of 354.45 g/mol, XLogP of 3.77, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-acetamidophenyl)methyl]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 24685838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).