4-[4-(4-tert-butylphenoxy)butanoylamino]benzamide

C21H26N2O3 — CID 2677123

IUPAC4-[4-(4-tert-butylphenoxy)butanoylamino]benzamide
SMILESCC(C)(C)c1ccc(OCCCC(=O)Nc2ccc(C(N)=O)cc2)cc1
InChIInChI=1S/C21H26N2O3/c1-21(2,3)16-8-12-18(13-9-16)26-14-4-5-19(24)23-17-10-6-15(7-11-17)20(22)25/h6-13H,4-5,14H2,1-3H3,(H2,22,25)(H,23,24)
InChIKeySYVCCPMLTOTHFQ-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.88
Rot. Bonds7

About 4-[4-(4-tert-butylphenoxy)butanoylamino]benzamide

4-[4-(4-tert-butylphenoxy)butanoylamino]benzamide (PubChem CID 2677123) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 4-[4-(4-tert-butylphenoxy)butanoylamino]benzamide.

Molecular Properties

Compound Name4-[4-(4-tert-butylphenoxy)butanoylamino]benzamide
PubChem CID2677123
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name4-[4-(4-tert-butylphenoxy)butanoylamino]benzamide
SMILESCC(C)(C)c1ccc(OCCCC(=O)Nc2ccc(C(N)=O)cc2)cc1
InChIInChI=1S/C21H26N2O3/c1-21(2,3)16-8-12-18(13-9-16)26-14-4-5-19(24)23-17-10-6-15(7-11-17)20(22)25/h6-13H,4-5,14H2,1-3H3,(H2,22,25)(H,23,24)
InChIKeySYVCCPMLTOTHFQ-UHFFFAOYSA-N
XLogP3.88
TPSA81.42 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 ≤ 53.88
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

methyl 4-[4-(4-tert-butylphenoxy)butanoylamino]benzoate
CID 19173575
N-(4-butoxyphenyl)-4-(4-tert-butylphenoxy)butanamide
CID 19173570
[2-(4-carbamoylanilino)-2-oxoethyl] 3-(4-tert-butylphenoxy)propanoate
CID 7856033
propyl 4-[4-(4-tert-butylphenoxy)butanoylamino]benzoate
CID 19173583
[(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 4-(4-tert-butylphenoxy)butanoate
CID 7147575
3-(4-tert-butylphenoxy)-N-(4-methylphenyl)propanamide
CID 18266665
4-(4-tert-butylphenoxy)-N-(3,4-dichlorophenyl)butanamide
CID 19173834
butyl 4-[4-[4-(2-methylbutan-2-yl)phenoxy]butanoylamino]benzoate
CID 19237060
4-[4-(4-chloro-3,5-dimethylphenoxy)butanoylamino]benzamide
CID 19191093
methyl 4-[4-(4-tert-butylphenoxy)butanoylcarbamothioylamino]benzoate
CID 19188696
4-(4-tert-butylphenoxy)butanamide
CID 82041345
N-(4-tert-butylphenyl)-3-phenoxypropanamide
CID 7658805

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-tert-butylphenoxy)butanoylamino]benzamide?
The IUPAC name of 4-[4-(4-tert-butylphenoxy)butanoylamino]benzamide (CID 2677123) is 4-[4-(4-tert-butylphenoxy)butanoylamino]benzamide.
What is the SMILES notation for 4-[4-(4-tert-butylphenoxy)butanoylamino]benzamide?
The canonical SMILES for 4-[4-(4-tert-butylphenoxy)butanoylamino]benzamide is CC(C)(C)c1ccc(OCCCC(=O)Nc2ccc(C(N)=O)cc2)cc1.
What is the InChIKey of 4-[4-(4-tert-butylphenoxy)butanoylamino]benzamide?
The InChIKey is SYVCCPMLTOTHFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-21(2,3)16-8-12-18(13-9-16)26-14-4-5-19(24)23-17-10-6-15(7-11-17)20(22)25/h6-13H,4-5,14H2,1-3H3,(H2,22,25)(H,23,24).
What are the key properties of 4-[4-(4-tert-butylphenoxy)butanoylamino]benzamide?
4-[4-(4-tert-butylphenoxy)butanoylamino]benzamide has a molecular weight of 354.45 g/mol, XLogP of 3.88, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-tert-butylphenoxy)butanoylamino]benzamide is sourced from PubChem (CID 2677123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).