4-[[[2-(4-tert-butylphenoxy)acetyl]amino]methyl]-N-methylbenzamide

C21H26N2O3 — CID 55575979

IUPAC4-[[[2-(4-tert-butylphenoxy)acetyl]amino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CNC(=O)COc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C21H26N2O3/c1-21(2,3)17-9-11-18(12-10-17)26-14-19(24)23-13-15-5-7-16(8-6-15)20(25)22-4/h5-12H,13-14H2,1-4H3,(H,22,25)(H,23,24)
InChIKeyXGGCUDYLCZYVMI-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.04
Rot. Bonds6

About 4-[[[2-(4-tert-butylphenoxy)acetyl]amino]methyl]-N-methylbenzamide

4-[[[2-(4-tert-butylphenoxy)acetyl]amino]methyl]-N-methylbenzamide (PubChem CID 55575979) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 4-[[[2-(4-tert-butylphenoxy)acetyl]amino]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[[2-(4-tert-butylphenoxy)acetyl]amino]methyl]-N-methylbenzamide
PubChem CID55575979
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name4-[[[2-(4-tert-butylphenoxy)acetyl]amino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CNC(=O)COc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C21H26N2O3/c1-21(2,3)17-9-11-18(12-10-17)26-14-19(24)23-13-15-5-7-16(8-6-15)20(25)22-4/h5-12H,13-14H2,1-4H3,(H,22,25)(H,23,24)
InChIKeyXGGCUDYLCZYVMI-UHFFFAOYSA-N
XLogP3.04
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 ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-tert-butylphenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 28633311
N-methyl-4-[[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]methyl]benzamide
CID 55590785
2-(4-tert-butylphenoxy)-N-[[4-(carbamoylamino)phenyl]methyl]acetamide
CID 55509327
2-[4-(trifluoromethyl)phenoxy]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 55772582
4-tert-butyl-N'-[2-(4-tert-butylphenoxy)acetyl]benzohydrazide
CID 3311747
2-(4-propanoylphenoxy)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 27052429
2-[4-(2-methylbutan-2-yl)phenoxy]-N-[(4-methylphenyl)methyl]acetamide
CID 46761744
2-(4-tert-butylphenoxy)-N-[(3-methylphenyl)methyl]acetamide
CID 53283091
N-benzyl-4-[2-[2-(4-tert-butylphenoxy)acetyl]hydrazinyl]-4-oxobutanamide
CID 3975878
4-[[[2-(4-propoxyphenoxy)acetyl]amino]methyl]benzoic acid
CID 45426481
2-(4-tert-butylphenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)acetamide
CID 27761157
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-tert-butylphenoxy)acetamide
CID 721824

Frequently Asked Questions

What is the IUPAC name of 4-[[[2-(4-tert-butylphenoxy)acetyl]amino]methyl]-N-methylbenzamide?
The IUPAC name of 4-[[[2-(4-tert-butylphenoxy)acetyl]amino]methyl]-N-methylbenzamide (CID 55575979) is 4-[[[2-(4-tert-butylphenoxy)acetyl]amino]methyl]-N-methylbenzamide.
What is the SMILES notation for 4-[[[2-(4-tert-butylphenoxy)acetyl]amino]methyl]-N-methylbenzamide?
The canonical SMILES for 4-[[[2-(4-tert-butylphenoxy)acetyl]amino]methyl]-N-methylbenzamide is CNC(=O)c1ccc(CNC(=O)COc2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of 4-[[[2-(4-tert-butylphenoxy)acetyl]amino]methyl]-N-methylbenzamide?
The InChIKey is XGGCUDYLCZYVMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-21(2,3)17-9-11-18(12-10-17)26-14-19(24)23-13-15-5-7-16(8-6-15)20(25)22-4/h5-12H,13-14H2,1-4H3,(H,22,25)(H,23,24).
What are the key properties of 4-[[[2-(4-tert-butylphenoxy)acetyl]amino]methyl]-N-methylbenzamide?
4-[[[2-(4-tert-butylphenoxy)acetyl]amino]methyl]-N-methylbenzamide has a molecular weight of 354.45 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2-(4-tert-butylphenoxy)acetyl]amino]methyl]-N-methylbenzamide is sourced from PubChem (CID 55575979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).