N-tert-butyl-3-(4-phenoxybutanoylamino)benzamide

C21H26N2O3 — CID 87006557

IUPACN-tert-butyl-3-(4-phenoxybutanoylamino)benzamide
SMILESCC(C)(C)NC(=O)c1cccc(NC(=O)CCCOc2ccccc2)c1
InChIInChI=1S/C21H26N2O3/c1-21(2,3)23-20(25)16-9-7-10-17(15-16)22-19(24)13-8-14-26-18-11-5-4-6-12-18/h4-7,9-12,15H,8,13-14H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyKHAKBYDBFCHIFB-UHFFFAOYSA-N
MW354.45 g/mol
LogP4.01
Rot. Bonds7

About N-tert-butyl-3-(4-phenoxybutanoylamino)benzamide

N-tert-butyl-3-(4-phenoxybutanoylamino)benzamide (PubChem CID 87006557) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-tert-butyl-3-(4-phenoxybutanoylamino)benzamide.

Molecular Properties

Compound NameN-tert-butyl-3-(4-phenoxybutanoylamino)benzamide
PubChem CID87006557
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC NameN-tert-butyl-3-(4-phenoxybutanoylamino)benzamide
SMILESCC(C)(C)NC(=O)c1cccc(NC(=O)CCCOc2ccccc2)c1
InChIInChI=1S/C21H26N2O3/c1-21(2,3)23-20(25)16-9-7-10-17(15-16)22-19(24)13-8-14-26-18-11-5-4-6-12-18/h4-7,9-12,15H,8,13-14H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyKHAKBYDBFCHIFB-UHFFFAOYSA-N
XLogP4.01
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 ≤ 54.01
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

3-phenylpropyl 4-[3-(tert-butylcarbamoyl)anilino]-4-oxobutanoate
CID 28639431
3-[[2-(3-butoxyanilino)-2-oxoethyl]amino]-N-tert-butylbenzamide
CID 54844364
N-tert-butyl-3-[[2-oxo-2-[3-(2-phenylethoxy)anilino]ethyl]amino]benzamide
CID 54844265
N-tert-butyl-3-[(2-methoxyacetyl)amino]benzamide
CID 47251267
N-tert-butyl-3-[[2-(2-methoxyphenoxy)acetyl]amino]benzamide
CID 9323551
4-(3-methylphenoxy)-N-phenylbutanamide
CID 19173641
N-tert-butyl-3-(2-phenoxybutanoylamino)benzamide
CID 43887296
N-tert-butyl-3-[[2-(4-nitrophenoxy)acetyl]amino]benzamide
CID 9323564
N-tert-butyl-3-[[2-[4-(2-methylpropoxy)anilino]acetyl]amino]benzamide
CID 54820244
1-N,4-N-bis[3-(tert-butylcarbamoyl)phenyl]benzene-1,4-dicarboxamide
CID 28639773
N-tert-butyl-3-[[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54844494
3-[(3-butoxybenzoyl)amino]-N-phenylbenzamide
CID 54781128

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-(4-phenoxybutanoylamino)benzamide?
The IUPAC name of N-tert-butyl-3-(4-phenoxybutanoylamino)benzamide (CID 87006557) is N-tert-butyl-3-(4-phenoxybutanoylamino)benzamide.
What is the SMILES notation for N-tert-butyl-3-(4-phenoxybutanoylamino)benzamide?
The canonical SMILES for N-tert-butyl-3-(4-phenoxybutanoylamino)benzamide is CC(C)(C)NC(=O)c1cccc(NC(=O)CCCOc2ccccc2)c1.
What is the InChIKey of N-tert-butyl-3-(4-phenoxybutanoylamino)benzamide?
The InChIKey is KHAKBYDBFCHIFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-21(2,3)23-20(25)16-9-7-10-17(15-16)22-19(24)13-8-14-26-18-11-5-4-6-12-18/h4-7,9-12,15H,8,13-14H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of N-tert-butyl-3-(4-phenoxybutanoylamino)benzamide?
N-tert-butyl-3-(4-phenoxybutanoylamino)benzamide has a molecular weight of 354.45 g/mol, XLogP of 4.01, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-(4-phenoxybutanoylamino)benzamide is sourced from PubChem (CID 87006557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).