2-[[4-[(2-methylpropan-2-yl)oxy]benzoyl]amino]benzamide

C18H20N2O3 — CID 110761802

IUPAC2-[[4-[(2-methylpropan-2-yl)oxy]benzoyl]amino]benzamide
SMILESCC(C)(C)Oc1ccc(C(=O)Nc2ccccc2C(N)=O)cc1
InChIInChI=1S/C18H20N2O3/c1-18(2,3)23-13-10-8-12(9-11-13)17(22)20-15-7-5-4-6-14(15)16(19)21/h4-11H,1-3H3,(H2,19,21)(H,20,22)
InChIKeyYKCXPXQAEWZBJO-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.22
Rot. Bonds4

About 2-[[4-[(2-methylpropan-2-yl)oxy]benzoyl]amino]benzamide

2-[[4-[(2-methylpropan-2-yl)oxy]benzoyl]amino]benzamide (PubChem CID 110761802) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 2-[[4-[(2-methylpropan-2-yl)oxy]benzoyl]amino]benzamide.

Molecular Properties

Compound Name2-[[4-[(2-methylpropan-2-yl)oxy]benzoyl]amino]benzamide
PubChem CID110761802
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name2-[[4-[(2-methylpropan-2-yl)oxy]benzoyl]amino]benzamide
SMILESCC(C)(C)Oc1ccc(C(=O)Nc2ccccc2C(N)=O)cc1
InChIInChI=1S/C18H20N2O3/c1-18(2,3)23-13-10-8-12(9-11-13)17(22)20-15-7-5-4-6-14(15)16(19)21/h4-11H,1-3H3,(H2,19,21)(H,20,22)
InChIKeyYKCXPXQAEWZBJO-UHFFFAOYSA-N
XLogP3.22
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-(2-carbamoylphenyl)benzene-1,4-dicarboxamide
CID 71944310
2-[[4-(2-methoxyethoxy)benzoyl]amino]benzamide
CID 15943277
2-[(4-hydroxybenzoyl)amino]benzamide
CID 110462650
2-benzamidobenzamide
CID 702115
2-[[4-(2-methylpropoxy)benzoyl]amino]benzamide
CID 2995862
4-[[4-[(2-methylpropan-2-yl)oxy]benzoyl]amino]benzamide
CID 110761803
2-[[4-(phenoxymethyl)benzoyl]amino]benzamide
CID 924413
2-[[4-(bromomethyl)benzoyl]amino]benzamide
CID 102850971
[amino-[2-[(4-methoxybenzoyl)amino]phenyl]methylidene]-hydroxyazanium
CID 4524744
N-(2-acetylphenyl)-4-methoxybenzamide
CID 3509429
2-[(4-methoxybenzoyl)amino]benzoic acid
CID 721421
N-(2-carbamoylphenyl)-1-methylpyrrole-3-carboxamide
CID 110762752

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(2-methylpropan-2-yl)oxy]benzoyl]amino]benzamide?
The IUPAC name of 2-[[4-[(2-methylpropan-2-yl)oxy]benzoyl]amino]benzamide (CID 110761802) is 2-[[4-[(2-methylpropan-2-yl)oxy]benzoyl]amino]benzamide.
What is the SMILES notation for 2-[[4-[(2-methylpropan-2-yl)oxy]benzoyl]amino]benzamide?
The canonical SMILES for 2-[[4-[(2-methylpropan-2-yl)oxy]benzoyl]amino]benzamide is CC(C)(C)Oc1ccc(C(=O)Nc2ccccc2C(N)=O)cc1.
What is the InChIKey of 2-[[4-[(2-methylpropan-2-yl)oxy]benzoyl]amino]benzamide?
The InChIKey is YKCXPXQAEWZBJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-18(2,3)23-13-10-8-12(9-11-13)17(22)20-15-7-5-4-6-14(15)16(19)21/h4-11H,1-3H3,(H2,19,21)(H,20,22).
What are the key properties of 2-[[4-[(2-methylpropan-2-yl)oxy]benzoyl]amino]benzamide?
2-[[4-[(2-methylpropan-2-yl)oxy]benzoyl]amino]benzamide has a molecular weight of 312.37 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(2-methylpropan-2-yl)oxy]benzoyl]amino]benzamide is sourced from PubChem (CID 110761802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).