N-tert-butyl-2-[[3-(2-methylpropoxy)benzoyl]amino]benzamide

C22H28N2O3 — CID 17140330

IUPACN-tert-butyl-2-[[3-(2-methylpropoxy)benzoyl]amino]benzamide
SMILESCC(C)COc1cccc(C(=O)Nc2ccccc2C(=O)NC(C)(C)C)c1
InChIInChI=1S/C22H28N2O3/c1-15(2)14-27-17-10-8-9-16(13-17)20(25)23-19-12-7-6-11-18(19)21(26)24-22(3,4)5/h6-13,15H,14H2,1-5H3,(H,23,25)(H,24,26)
InChIKeyXGLVSOFHDCNERT-UHFFFAOYSA-N
MW368.48 g/mol
LogP4.50
Rot. Bonds6

About N-tert-butyl-2-[[3-(2-methylpropoxy)benzoyl]amino]benzamide

N-tert-butyl-2-[[3-(2-methylpropoxy)benzoyl]amino]benzamide (PubChem CID 17140330) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-tert-butyl-2-[[3-(2-methylpropoxy)benzoyl]amino]benzamide.

Molecular Properties

Compound NameN-tert-butyl-2-[[3-(2-methylpropoxy)benzoyl]amino]benzamide
PubChem CID17140330
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC NameN-tert-butyl-2-[[3-(2-methylpropoxy)benzoyl]amino]benzamide
SMILESCC(C)COc1cccc(C(=O)Nc2ccccc2C(=O)NC(C)(C)C)c1
InChIInChI=1S/C22H28N2O3/c1-15(2)14-27-17-10-8-9-16(13-17)20(25)23-19-12-7-6-11-18(19)21(26)24-22(3,4)5/h6-13,15H,14H2,1-5H3,(H,23,25)(H,24,26)
InChIKeyXGLVSOFHDCNERT-UHFFFAOYSA-N
XLogP4.50
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-2-[(3-propan-2-yloxybenzoyl)amino]benzamide
CID 8779150
2-[[3-(2-methylpropoxy)benzoyl]amino]-N-propylbenzamide
CID 17140344
N-(4-anilinophenyl)-2-[[3-(2-methylpropoxy)benzoyl]amino]benzamide
CID 17140337
methyl 3-[[2-(tert-butylcarbamoyl)phenyl]carbamoyl]benzoate
CID 17175287
N-[2-[(2S)-butan-2-yl]phenyl]-3-(2-methylpropoxy)benzamide
CID 959928
methyl 2-[[3-(2-methylpropoxy)benzoyl]carbamothioylamino]benzoate
CID 17140602
N-(2-benzoyl-4-chlorophenyl)-3-(2-methylpropoxy)benzamide
CID 4512457
2-[[3-(2-phenoxyethoxy)benzoyl]amino]-N-propan-2-ylbenzamide
CID 4955048
2-[[3-(2-methylpropoxy)benzoyl]carbamothioylamino]-N-phenylbenzamide
CID 17140529
2-[[3-(2-methylpropoxy)benzoyl]carbamothioylamino]-N-(1-phenylethyl)benzamide
CID 17140633
N-[2-(ethylaminomethyl)phenyl]-3-(2-methylpropoxy)benzamide;hydrochloride
CID 119439604
2-[(3-butan-2-yloxybenzoyl)carbamothioylamino]-N-tert-butylbenzamide
CID 17150095

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[[3-(2-methylpropoxy)benzoyl]amino]benzamide?
The IUPAC name of N-tert-butyl-2-[[3-(2-methylpropoxy)benzoyl]amino]benzamide (CID 17140330) is N-tert-butyl-2-[[3-(2-methylpropoxy)benzoyl]amino]benzamide.
What is the SMILES notation for N-tert-butyl-2-[[3-(2-methylpropoxy)benzoyl]amino]benzamide?
The canonical SMILES for N-tert-butyl-2-[[3-(2-methylpropoxy)benzoyl]amino]benzamide is CC(C)COc1cccc(C(=O)Nc2ccccc2C(=O)NC(C)(C)C)c1.
What is the InChIKey of N-tert-butyl-2-[[3-(2-methylpropoxy)benzoyl]amino]benzamide?
The InChIKey is XGLVSOFHDCNERT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-15(2)14-27-17-10-8-9-16(13-17)20(25)23-19-12-7-6-11-18(19)21(26)24-22(3,4)5/h6-13,15H,14H2,1-5H3,(H,23,25)(H,24,26).
What are the key properties of N-tert-butyl-2-[[3-(2-methylpropoxy)benzoyl]amino]benzamide?
N-tert-butyl-2-[[3-(2-methylpropoxy)benzoyl]amino]benzamide has a molecular weight of 368.48 g/mol, XLogP of 4.50, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[[3-(2-methylpropoxy)benzoyl]amino]benzamide is sourced from PubChem (CID 17140330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).