2-[[4-(2-methylpropoxy)benzoyl]amino]benzamide

C18H20N2O3 — CID 2995862

IUPAC2-[[4-(2-methylpropoxy)benzoyl]amino]benzamide
SMILESCC(C)COc1ccc(C(=O)Nc2ccccc2C(N)=O)cc1
InChIInChI=1S/C18H20N2O3/c1-12(2)11-23-14-9-7-13(8-10-14)18(22)20-16-6-4-3-5-15(16)17(19)21/h3-10,12H,11H2,1-2H3,(H2,19,21)(H,20,22)
InChIKeyKUESHFYTHKBLKY-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.07
Rot. Bonds6

About 2-[[4-(2-methylpropoxy)benzoyl]amino]benzamide

2-[[4-(2-methylpropoxy)benzoyl]amino]benzamide (PubChem CID 2995862) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 2-[[4-(2-methylpropoxy)benzoyl]amino]benzamide.

Molecular Properties

Compound Name2-[[4-(2-methylpropoxy)benzoyl]amino]benzamide
PubChem CID2995862
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name2-[[4-(2-methylpropoxy)benzoyl]amino]benzamide
SMILESCC(C)COc1ccc(C(=O)Nc2ccccc2C(N)=O)cc1
InChIInChI=1S/C18H20N2O3/c1-12(2)11-23-14-9-7-13(8-10-14)18(22)20-16-6-4-3-5-15(16)17(19)21/h3-10,12H,11H2,1-2H3,(H2,19,21)(H,20,22)
InChIKeyKUESHFYTHKBLKY-UHFFFAOYSA-N
XLogP3.07
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[4-(2-methoxyethoxy)benzoyl]amino]benzamide
CID 15943277
2-[[2-(2-methylpropoxy)benzoyl]amino]benzamide
CID 4945319
N-(3-methoxypropyl)-2-[[4-(2-methylpropoxy)benzoyl]amino]benzamide
CID 17148342
N-methyl-2-[[4-(2-methylpropoxy)benzoyl]carbamothioylamino]benzamide
CID 17354128
2-[[4-(phenoxymethyl)benzoyl]amino]benzamide
CID 924413
4-[[4-(2-methylpropoxy)benzoyl]amino]benzamide
CID 2994766
N-[2-[(2S)-butan-2-yl]phenyl]-4-(2-methylpropoxy)benzamide
CID 959904
2-[[4-[(2-methylpropan-2-yl)oxy]benzoyl]amino]benzamide
CID 110761802
4-N-(2-carbamoylphenyl)benzene-1,4-dicarboxamide
CID 71944310
4-(2-methylpropoxy)-N'-[4-(2-methylpropoxy)benzoyl]benzohydrazide
CID 4937273
N,N-dimethyl-2-[[4-(2-methylpropoxy)benzoyl]carbamothioylamino]benzamide
CID 4937584
4-ethoxy-N-[2-(2-methylpropoxy)phenyl]benzamide
CID 17074278

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-methylpropoxy)benzoyl]amino]benzamide?
The IUPAC name of 2-[[4-(2-methylpropoxy)benzoyl]amino]benzamide (CID 2995862) is 2-[[4-(2-methylpropoxy)benzoyl]amino]benzamide.
What is the SMILES notation for 2-[[4-(2-methylpropoxy)benzoyl]amino]benzamide?
The canonical SMILES for 2-[[4-(2-methylpropoxy)benzoyl]amino]benzamide is CC(C)COc1ccc(C(=O)Nc2ccccc2C(N)=O)cc1.
What is the InChIKey of 2-[[4-(2-methylpropoxy)benzoyl]amino]benzamide?
The InChIKey is KUESHFYTHKBLKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-12(2)11-23-14-9-7-13(8-10-14)18(22)20-16-6-4-3-5-15(16)17(19)21/h3-10,12H,11H2,1-2H3,(H2,19,21)(H,20,22).
What are the key properties of 2-[[4-(2-methylpropoxy)benzoyl]amino]benzamide?
2-[[4-(2-methylpropoxy)benzoyl]amino]benzamide has a molecular weight of 312.37 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-methylpropoxy)benzoyl]amino]benzamide is sourced from PubChem (CID 2995862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).