4-tert-butyl-N-[2-[(2-phenoxyacetyl)amino]ethyl]benzamide

C21H26N2O3 — CID 108541991

IUPAC4-tert-butyl-N-[2-[(2-phenoxyacetyl)amino]ethyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)NCCNC(=O)COc2ccccc2)cc1
InChIInChI=1S/C21H26N2O3/c1-21(2,3)17-11-9-16(10-12-17)20(25)23-14-13-22-19(24)15-26-18-7-5-4-6-8-18/h4-12H,13-15H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyXYZZQTGLMSNHDG-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.91
Rot. Bonds7

About 4-tert-butyl-N-[2-[(2-phenoxyacetyl)amino]ethyl]benzamide

4-tert-butyl-N-[2-[(2-phenoxyacetyl)amino]ethyl]benzamide (PubChem CID 108541991) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 4-tert-butyl-N-[2-[(2-phenoxyacetyl)amino]ethyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[2-[(2-phenoxyacetyl)amino]ethyl]benzamide
PubChem CID108541991
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name4-tert-butyl-N-[2-[(2-phenoxyacetyl)amino]ethyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)NCCNC(=O)COc2ccccc2)cc1
InChIInChI=1S/C21H26N2O3/c1-21(2,3)17-11-9-16(10-12-17)20(25)23-14-13-22-19(24)15-26-18-7-5-4-6-8-18/h4-12H,13-15H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyXYZZQTGLMSNHDG-UHFFFAOYSA-N
XLogP2.91
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 ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N-[2-[(2-phenoxyacetyl)amino]ethyl]benzamide
CID 4615382
4-bromo-N-[2-[(2-phenoxyacetyl)amino]ethyl]benzamide
CID 38611489
N-[2-[[2-(4-methylphenoxy)acetyl]amino]ethyl]-4-phenylbenzamide
CID 108538441
ethyl [4-[2-[(2-phenoxyacetyl)amino]ethylcarbamoyl]phenyl] carbonate
CID 108929821
2-tert-butyl-1,3-dioxo-N-[2-[(2-phenoxyacetyl)amino]ethyl]isoindole-5-carboxamide
CID 108540451
4-methoxy-N-[2-[[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]ethyl]benzamide
CID 60513577
N-[2-(N-acetyl-4-tert-butylanilino)ethyl]-2-phenoxyacetamide
CID 113059114
4-tert-butyl-N'-[2-(4-tert-butylphenoxy)acetyl]benzohydrazide
CID 3311747
N-[2-[2-[[2-(4-methylphenoxy)acetyl]amino]ethylamino]-2-oxoethyl]benzamide
CID 108539308
4-methoxy-N-[2-[[2-(4-methylphenoxy)acetyl]amino]ethyl]benzamide
CID 108537866
3-phenoxypropyl 2-[(4-tert-butylbenzoyl)amino]acetate
CID 55568498
2-(4-tert-butylphenoxy)-N-phenylacetamide
CID 963342

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[2-[(2-phenoxyacetyl)amino]ethyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[2-[(2-phenoxyacetyl)amino]ethyl]benzamide (CID 108541991) is 4-tert-butyl-N-[2-[(2-phenoxyacetyl)amino]ethyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[2-[(2-phenoxyacetyl)amino]ethyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[2-[(2-phenoxyacetyl)amino]ethyl]benzamide is CC(C)(C)c1ccc(C(=O)NCCNC(=O)COc2ccccc2)cc1.
What is the InChIKey of 4-tert-butyl-N-[2-[(2-phenoxyacetyl)amino]ethyl]benzamide?
The InChIKey is XYZZQTGLMSNHDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-21(2,3)17-11-9-16(10-12-17)20(25)23-14-13-22-19(24)15-26-18-7-5-4-6-8-18/h4-12H,13-15H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of 4-tert-butyl-N-[2-[(2-phenoxyacetyl)amino]ethyl]benzamide?
4-tert-butyl-N-[2-[(2-phenoxyacetyl)amino]ethyl]benzamide has a molecular weight of 354.45 g/mol, XLogP of 2.91, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[2-[(2-phenoxyacetyl)amino]ethyl]benzamide is sourced from PubChem (CID 108541991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).