N-[4-[2-(2-butan-2-ylphenoxy)propanoylamino]phenyl]-4-tert-butylbenzamide

C30H36N2O3 — CID 17235107

IUPACN-[4-[2-(2-butan-2-ylphenoxy)propanoylamino]phenyl]-4-tert-butylbenzamide
SMILESCCC(C)c1ccccc1OC(C)C(=O)Nc1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C30H36N2O3/c1-7-20(2)26-10-8-9-11-27(26)35-21(3)28(33)31-24-16-18-25(19-17-24)32-29(34)22-12-14-23(15-13-22)30(4,5)6/h8-21H,7H2,1-6H3,(H,31,33)(H,32,34)
InChIKeyZCUHCAWWYDIRCW-UHFFFAOYSA-N
MW472.63 g/mol
LogP7.16
Rot. Bonds8

About N-[4-[2-(2-butan-2-ylphenoxy)propanoylamino]phenyl]-4-tert-butylbenzamide

N-[4-[2-(2-butan-2-ylphenoxy)propanoylamino]phenyl]-4-tert-butylbenzamide (PubChem CID 17235107) has the molecular formula C30H36N2O3 and a molecular weight of 472.63 g/mol. Its IUPAC name is N-[4-[2-(2-butan-2-ylphenoxy)propanoylamino]phenyl]-4-tert-butylbenzamide.

Molecular Properties

Compound NameN-[4-[2-(2-butan-2-ylphenoxy)propanoylamino]phenyl]-4-tert-butylbenzamide
PubChem CID17235107
Molecular FormulaC30H36N2O3
Molecular Weight472.63 g/mol
Exact Mass472.27
IUPAC NameN-[4-[2-(2-butan-2-ylphenoxy)propanoylamino]phenyl]-4-tert-butylbenzamide
SMILESCCC(C)c1ccccc1OC(C)C(=O)Nc1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C30H36N2O3/c1-7-20(2)26-10-8-9-11-27(26)35-21(3)28(33)31-24-16-18-25(19-17-24)32-29(34)22-12-14-23(15-13-22)30(4,5)6/h8-21H,7H2,1-6H3,(H,31,33)(H,32,34)
InChIKeyZCUHCAWWYDIRCW-UHFFFAOYSA-N
XLogP7.16
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.63
LogP ≤ 57.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-butan-2-ylphenoxy)-N-phenylpropanamide
CID 17129825
4-[2-(2-butan-2-ylphenoxy)butanoylamino]-N-tert-butylbenzamide
CID 17199601
4-[2-(2-butan-2-ylphenoxy)butanoylamino]benzoic acid
CID 54855905
N-[3-[2-(2-butan-2-ylphenoxy)propanoylamino]phenyl]-2,2-dimethylpropanamide
CID 17204655
2-(2-butan-2-ylphenoxy)-N-(3,4-dimethoxyphenyl)propanamide
CID 54781417
4-tert-butyl-N-[4-[2-(2-methylphenoxy)butanoylamino]phenyl]benzamide
CID 17235025
N-(4-aminophenyl)-2-(2-butan-2-ylphenoxy)butanamide
CID 46735880
4-tert-butyl-N-[4-[2-(2,5-dimethylphenoxy)propanoylamino]phenyl]benzamide
CID 17235031
N-[4-(benzylsulfamoyl)phenyl]-2-(2-butan-2-ylphenoxy)propanamide
CID 17129907
(2R)-N-[3-(4-tert-butylbenzoyl)phenyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 92675891
ethyl 4-[[(2S)-2-(2-propan-2-ylphenoxy)propanoyl]amino]benzoate
CID 94018798
4-tert-butyl-N-[4-[2-(3-methylphenoxy)propanoylamino]phenyl]benzamide
CID 17235023

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(2-butan-2-ylphenoxy)propanoylamino]phenyl]-4-tert-butylbenzamide?
The IUPAC name of N-[4-[2-(2-butan-2-ylphenoxy)propanoylamino]phenyl]-4-tert-butylbenzamide (CID 17235107) is N-[4-[2-(2-butan-2-ylphenoxy)propanoylamino]phenyl]-4-tert-butylbenzamide.
What is the SMILES notation for N-[4-[2-(2-butan-2-ylphenoxy)propanoylamino]phenyl]-4-tert-butylbenzamide?
The canonical SMILES for N-[4-[2-(2-butan-2-ylphenoxy)propanoylamino]phenyl]-4-tert-butylbenzamide is CCC(C)c1ccccc1OC(C)C(=O)Nc1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of N-[4-[2-(2-butan-2-ylphenoxy)propanoylamino]phenyl]-4-tert-butylbenzamide?
The InChIKey is ZCUHCAWWYDIRCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N2O3/c1-7-20(2)26-10-8-9-11-27(26)35-21(3)28(33)31-24-16-18-25(19-17-24)32-29(34)22-12-14-23(15-13-22)30(4,5)6/h8-21H,7H2,1-6H3,(H,31,33)(H,32,34).
What are the key properties of N-[4-[2-(2-butan-2-ylphenoxy)propanoylamino]phenyl]-4-tert-butylbenzamide?
N-[4-[2-(2-butan-2-ylphenoxy)propanoylamino]phenyl]-4-tert-butylbenzamide has a molecular weight of 472.63 g/mol, XLogP of 7.16, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(2-butan-2-ylphenoxy)propanoylamino]phenyl]-4-tert-butylbenzamide is sourced from PubChem (CID 17235107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).