2-propan-2-yloxy-N-[4-[(2-propan-2-yloxybenzoyl)amino]phenyl]benzamide

C26H28N2O4 — CID 17046033

IUPAC2-propan-2-yloxy-N-[4-[(2-propan-2-yloxybenzoyl)amino]phenyl]benzamide
SMILESCC(C)Oc1ccccc1C(=O)Nc1ccc(NC(=O)c2ccccc2OC(C)C)cc1
InChIInChI=1S/C26H28N2O4/c1-17(2)31-23-11-7-5-9-21(23)25(29)27-19-13-15-20(16-14-19)28-26(30)22-10-6-8-12-24(22)32-18(3)4/h5-18H,1-4H3,(H,27,29)(H,28,30)
InChIKeyQGKHQRMJAHMHEA-UHFFFAOYSA-N
MW432.52 g/mol
LogP5.77
Rot. Bonds8

About 2-propan-2-yloxy-N-[4-[(2-propan-2-yloxybenzoyl)amino]phenyl]benzamide

2-propan-2-yloxy-N-[4-[(2-propan-2-yloxybenzoyl)amino]phenyl]benzamide (PubChem CID 17046033) has the molecular formula C26H28N2O4 and a molecular weight of 432.52 g/mol. Its IUPAC name is 2-propan-2-yloxy-N-[4-[(2-propan-2-yloxybenzoyl)amino]phenyl]benzamide.

Molecular Properties

Compound Name2-propan-2-yloxy-N-[4-[(2-propan-2-yloxybenzoyl)amino]phenyl]benzamide
PubChem CID17046033
Molecular FormulaC26H28N2O4
Molecular Weight432.52 g/mol
Exact Mass432.20
IUPAC Name2-propan-2-yloxy-N-[4-[(2-propan-2-yloxybenzoyl)amino]phenyl]benzamide
SMILESCC(C)Oc1ccccc1C(=O)Nc1ccc(NC(=O)c2ccccc2OC(C)C)cc1
InChIInChI=1S/C26H28N2O4/c1-17(2)31-23-11-7-5-9-21(23)25(29)27-19-13-15-20(16-14-19)28-26(30)22-10-6-8-12-24(22)32-18(3)4/h5-18H,1-4H3,(H,27,29)(H,28,30)
InChIKeyQGKHQRMJAHMHEA-UHFFFAOYSA-N
XLogP5.77
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.52
LogP ≤ 55.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamidophenyl)-2-propan-2-yloxybenzamide
CID 17045479
N-[4-(methylcarbamoyl)phenyl]-2-propan-2-yloxybenzamide
CID 28642699
N-(4-butoxyphenyl)-2-propan-2-yloxybenzamide
CID 17045605
ethyl 4-[(2-propan-2-yloxybenzoyl)amino]benzoate
CID 17045515
N-(3-chloro-4-methylphenyl)-2-propan-2-yloxybenzamide
CID 17045551
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-propan-2-yloxybenzamide
CID 50946132
N-propan-2-yl-2-[(2-propan-2-yloxybenzoyl)amino]benzamide
CID 17045597
N-[3-(propan-2-ylcarbamoyl)phenyl]-2-propan-2-yloxybenzamide
CID 17197512
N-[(2R)-3-methylbutan-2-yl]-2-propan-2-yloxybenzamide
CID 100570232
2-ethoxy-N-[4-[(2-ethoxybenzoyl)amino]phenyl]benzamide
CID 1011206
2-methoxy-N-[4-[4-[(2-methoxybenzoyl)amino]phenyl]phenyl]benzamide
CID 3299583
N-[(1R)-1-phenylethyl]-2-propan-2-yloxybenzamide
CID 92666015

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yloxy-N-[4-[(2-propan-2-yloxybenzoyl)amino]phenyl]benzamide?
The IUPAC name of 2-propan-2-yloxy-N-[4-[(2-propan-2-yloxybenzoyl)amino]phenyl]benzamide (CID 17046033) is 2-propan-2-yloxy-N-[4-[(2-propan-2-yloxybenzoyl)amino]phenyl]benzamide.
What is the SMILES notation for 2-propan-2-yloxy-N-[4-[(2-propan-2-yloxybenzoyl)amino]phenyl]benzamide?
The canonical SMILES for 2-propan-2-yloxy-N-[4-[(2-propan-2-yloxybenzoyl)amino]phenyl]benzamide is CC(C)Oc1ccccc1C(=O)Nc1ccc(NC(=O)c2ccccc2OC(C)C)cc1.
What is the InChIKey of 2-propan-2-yloxy-N-[4-[(2-propan-2-yloxybenzoyl)amino]phenyl]benzamide?
The InChIKey is QGKHQRMJAHMHEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O4/c1-17(2)31-23-11-7-5-9-21(23)25(29)27-19-13-15-20(16-14-19)28-26(30)22-10-6-8-12-24(22)32-18(3)4/h5-18H,1-4H3,(H,27,29)(H,28,30).
What are the key properties of 2-propan-2-yloxy-N-[4-[(2-propan-2-yloxybenzoyl)amino]phenyl]benzamide?
2-propan-2-yloxy-N-[4-[(2-propan-2-yloxybenzoyl)amino]phenyl]benzamide has a molecular weight of 432.52 g/mol, XLogP of 5.77, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yloxy-N-[4-[(2-propan-2-yloxybenzoyl)amino]phenyl]benzamide is sourced from PubChem (CID 17046033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).