N-[2,6-di(propan-2-yl)phenyl]-4-[1-oxo-1-(4-phenoxyanilino)propan-2-yl]oxybenzamide

C34H36N2O4 — CID 4101668

IUPACN-[2,6-di(propan-2-yl)phenyl]-4-[1-oxo-1-(4-phenoxyanilino)propan-2-yl]oxybenzamide
SMILESCC(Oc1ccc(C(=O)Nc2c(C(C)C)cccc2C(C)C)cc1)C(=O)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C34H36N2O4/c1-22(2)30-12-9-13-31(23(3)4)32(30)36-34(38)25-14-18-28(19-15-25)39-24(5)33(37)35-26-16-20-29(21-17-26)40-27-10-7-6-8-11-27/h6-24H,1-5H3,(H,35,37)(H,36,38)
InChIKeyIZIKRUZCKGUCKS-UHFFFAOYSA-N
MW536.67 g/mol
LogP8.38
Rot. Bonds10

About N-[2,6-di(propan-2-yl)phenyl]-4-[1-oxo-1-(4-phenoxyanilino)propan-2-yl]oxybenzamide

N-[2,6-di(propan-2-yl)phenyl]-4-[1-oxo-1-(4-phenoxyanilino)propan-2-yl]oxybenzamide (PubChem CID 4101668) has the molecular formula C34H36N2O4 and a molecular weight of 536.67 g/mol. Its IUPAC name is N-[2,6-di(propan-2-yl)phenyl]-4-[1-oxo-1-(4-phenoxyanilino)propan-2-yl]oxybenzamide.

Molecular Properties

Compound NameN-[2,6-di(propan-2-yl)phenyl]-4-[1-oxo-1-(4-phenoxyanilino)propan-2-yl]oxybenzamide
PubChem CID4101668
Molecular FormulaC34H36N2O4
Molecular Weight536.67 g/mol
Exact Mass536.27
IUPAC NameN-[2,6-di(propan-2-yl)phenyl]-4-[1-oxo-1-(4-phenoxyanilino)propan-2-yl]oxybenzamide
SMILESCC(Oc1ccc(C(=O)Nc2c(C(C)C)cccc2C(C)C)cc1)C(=O)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C34H36N2O4/c1-22(2)30-12-9-13-31(23(3)4)32(30)36-34(38)25-14-18-28(19-15-25)39-24(5)33(37)35-26-16-20-29(21-17-26)40-27-10-7-6-8-11-27/h6-24H,1-5H3,(H,35,37)(H,36,38)
InChIKeyIZIKRUZCKGUCKS-UHFFFAOYSA-N
XLogP8.38
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.67
LogP ≤ 58.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[4-[[2,6-di(propan-2-yl)phenyl]carbamoyl]phenoxy]propanoic acid
CID 7018110
(2S)-N-[2,6-di(propan-2-yl)phenyl]-2-phenoxypropanamide
CID 8779154
N-benzyl-4-[1-oxo-1-(4-phenoxyanilino)propan-2-yl]oxybenzamide
CID 4252954
2-(4-methoxyphenoxy)-N-(4-phenoxyphenyl)propanamide
CID 2952537
2-(4-bromophenoxy)-N-(4-phenoxyphenyl)propanamide
CID 18837977
4-[[(2S)-2-phenoxypropanoyl]amino]benzoic acid
CID 1365740
2-(3-methylphenoxy)-N-(4-phenoxyphenyl)propanamide
CID 3937440
N-(4-chloro-2-methylphenyl)-4-[1-oxo-1-(4-phenoxyanilino)propan-2-yl]oxybenzamide
CID 4051387
N-(4-acetamidophenyl)-2-phenoxypropanamide
CID 2897872
N-[2,6-di(propan-2-yl)phenyl]benzamide
CID 709320
4-[2-(4-methoxyphenoxy)propanoylamino]-N-(4-methoxyphenyl)benzamide
CID 55504736
N-(4-acetamidophenyl)-4-phenoxybenzamide
CID 16651566

Frequently Asked Questions

What is the IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-4-[1-oxo-1-(4-phenoxyanilino)propan-2-yl]oxybenzamide?
The IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-4-[1-oxo-1-(4-phenoxyanilino)propan-2-yl]oxybenzamide (CID 4101668) is N-[2,6-di(propan-2-yl)phenyl]-4-[1-oxo-1-(4-phenoxyanilino)propan-2-yl]oxybenzamide.
What is the SMILES notation for N-[2,6-di(propan-2-yl)phenyl]-4-[1-oxo-1-(4-phenoxyanilino)propan-2-yl]oxybenzamide?
The canonical SMILES for N-[2,6-di(propan-2-yl)phenyl]-4-[1-oxo-1-(4-phenoxyanilino)propan-2-yl]oxybenzamide is CC(Oc1ccc(C(=O)Nc2c(C(C)C)cccc2C(C)C)cc1)C(=O)Nc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of N-[2,6-di(propan-2-yl)phenyl]-4-[1-oxo-1-(4-phenoxyanilino)propan-2-yl]oxybenzamide?
The InChIKey is IZIKRUZCKGUCKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H36N2O4/c1-22(2)30-12-9-13-31(23(3)4)32(30)36-34(38)25-14-18-28(19-15-25)39-24(5)33(37)35-26-16-20-29(21-17-26)40-27-10-7-6-8-11-27/h6-24H,1-5H3,(H,35,37)(H,36,38).
What are the key properties of N-[2,6-di(propan-2-yl)phenyl]-4-[1-oxo-1-(4-phenoxyanilino)propan-2-yl]oxybenzamide?
N-[2,6-di(propan-2-yl)phenyl]-4-[1-oxo-1-(4-phenoxyanilino)propan-2-yl]oxybenzamide has a molecular weight of 536.67 g/mol, XLogP of 8.38, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-di(propan-2-yl)phenyl]-4-[1-oxo-1-(4-phenoxyanilino)propan-2-yl]oxybenzamide is sourced from PubChem (CID 4101668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).