N-[4-(tert-butylcarbamoyl)phenyl]-2-(2-phenoxyethoxy)benzamide

C26H28N2O4 — CID 17199542

IUPACN-[4-(tert-butylcarbamoyl)phenyl]-2-(2-phenoxyethoxy)benzamide
SMILESCC(C)(C)NC(=O)c1ccc(NC(=O)c2ccccc2OCCOc2ccccc2)cc1
InChIInChI=1S/C26H28N2O4/c1-26(2,3)28-24(29)19-13-15-20(16-14-19)27-25(30)22-11-7-8-12-23(22)32-18-17-31-21-9-5-4-6-10-21/h4-16H,17-18H2,1-3H3,(H,27,30)(H,28,29)
InChIKeyXSDUSMSNFUYVNU-UHFFFAOYSA-N
MW432.52 g/mol
LogP4.93
Rot. Bonds8

About N-[4-(tert-butylcarbamoyl)phenyl]-2-(2-phenoxyethoxy)benzamide

N-[4-(tert-butylcarbamoyl)phenyl]-2-(2-phenoxyethoxy)benzamide (PubChem CID 17199542) has the molecular formula C26H28N2O4 and a molecular weight of 432.52 g/mol. Its IUPAC name is N-[4-(tert-butylcarbamoyl)phenyl]-2-(2-phenoxyethoxy)benzamide.

Molecular Properties

Compound NameN-[4-(tert-butylcarbamoyl)phenyl]-2-(2-phenoxyethoxy)benzamide
PubChem CID17199542
Molecular FormulaC26H28N2O4
Molecular Weight432.52 g/mol
Exact Mass432.20
IUPAC NameN-[4-(tert-butylcarbamoyl)phenyl]-2-(2-phenoxyethoxy)benzamide
SMILESCC(C)(C)NC(=O)c1ccc(NC(=O)c2ccccc2OCCOc2ccccc2)cc1
InChIInChI=1S/C26H28N2O4/c1-26(2,3)28-24(29)19-13-15-20(16-14-19)27-25(30)22-11-7-8-12-23(22)32-18-17-31-21-9-5-4-6-10-21/h4-16H,17-18H2,1-3H3,(H,27,30)(H,28,29)
InChIKeyXSDUSMSNFUYVNU-UHFFFAOYSA-N
XLogP4.93
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-phenoxyethoxy)-N-(4-propoxyphenyl)benzamide
CID 4954419
N-(4-ethoxyphenyl)-2-(2-phenoxyethoxy)benzamide
CID 4954273
2-hexoxy-N-[4-(2-phenoxyethoxy)phenyl]benzamide
CID 4958241
2-methyl-N-[4-[[[2-(2-phenoxyethoxy)benzoyl]amino]carbamoyl]phenyl]propanamide
CID 4954512
N-(4-ethoxyphenyl)-2-[[2-(2-phenoxyethoxy)benzoyl]amino]benzamide
CID 4954400
N-naphthalen-2-yl-2-(2-phenoxyethoxy)benzamide
CID 17231987
N-[3-(2-methoxyethoxy)phenyl]-2-(2-phenoxyethoxy)benzamide
CID 17169883
N-[[4-(tert-butylcarbamoyl)phenyl]carbamothioyl]-2-pentoxybenzamide
CID 17199737
5-bromo-N-[4-(tert-butylcarbamoyl)phenyl]-2-(2-phenylethoxy)benzamide
CID 17199571
N-[4-[(4-tert-butylbenzoyl)amino]phenyl]-2-pentoxybenzamide
CID 17235052
N-(4-carbamoylphenyl)-2-(2-methoxyethoxy)benzamide
CID 15943115
2-butoxy-N-(4-propoxyphenyl)benzamide
CID 4943156

Frequently Asked Questions

What is the IUPAC name of N-[4-(tert-butylcarbamoyl)phenyl]-2-(2-phenoxyethoxy)benzamide?
The IUPAC name of N-[4-(tert-butylcarbamoyl)phenyl]-2-(2-phenoxyethoxy)benzamide (CID 17199542) is N-[4-(tert-butylcarbamoyl)phenyl]-2-(2-phenoxyethoxy)benzamide.
What is the SMILES notation for N-[4-(tert-butylcarbamoyl)phenyl]-2-(2-phenoxyethoxy)benzamide?
The canonical SMILES for N-[4-(tert-butylcarbamoyl)phenyl]-2-(2-phenoxyethoxy)benzamide is CC(C)(C)NC(=O)c1ccc(NC(=O)c2ccccc2OCCOc2ccccc2)cc1.
What is the InChIKey of N-[4-(tert-butylcarbamoyl)phenyl]-2-(2-phenoxyethoxy)benzamide?
The InChIKey is XSDUSMSNFUYVNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O4/c1-26(2,3)28-24(29)19-13-15-20(16-14-19)27-25(30)22-11-7-8-12-23(22)32-18-17-31-21-9-5-4-6-10-21/h4-16H,17-18H2,1-3H3,(H,27,30)(H,28,29).
What are the key properties of N-[4-(tert-butylcarbamoyl)phenyl]-2-(2-phenoxyethoxy)benzamide?
N-[4-(tert-butylcarbamoyl)phenyl]-2-(2-phenoxyethoxy)benzamide has a molecular weight of 432.52 g/mol, XLogP of 4.93, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(tert-butylcarbamoyl)phenyl]-2-(2-phenoxyethoxy)benzamide is sourced from PubChem (CID 17199542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).