N-butyl-2-[(3-propan-2-yloxybenzoyl)amino]benzamide

C21H26N2O3 — CID 17149439

IUPACN-butyl-2-[(3-propan-2-yloxybenzoyl)amino]benzamide
SMILESCCCCNC(=O)c1ccccc1NC(=O)c1cccc(OC(C)C)c1
InChIInChI=1S/C21H26N2O3/c1-4-5-13-22-21(25)18-11-6-7-12-19(18)23-20(24)16-9-8-10-17(14-16)26-15(2)3/h6-12,14-15H,4-5,13H2,1-3H3,(H,22,25)(H,23,24)
InChIKeySZLLFYXAWLGZKV-UHFFFAOYSA-N
MW354.45 g/mol
LogP4.26
Rot. Bonds8

About N-butyl-2-[(3-propan-2-yloxybenzoyl)amino]benzamide

N-butyl-2-[(3-propan-2-yloxybenzoyl)amino]benzamide (PubChem CID 17149439) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-butyl-2-[(3-propan-2-yloxybenzoyl)amino]benzamide.

Molecular Properties

Compound NameN-butyl-2-[(3-propan-2-yloxybenzoyl)amino]benzamide
PubChem CID17149439
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC NameN-butyl-2-[(3-propan-2-yloxybenzoyl)amino]benzamide
SMILESCCCCNC(=O)c1ccccc1NC(=O)c1cccc(OC(C)C)c1
InChIInChI=1S/C21H26N2O3/c1-4-5-13-22-21(25)18-11-6-7-12-19(18)23-20(24)16-9-8-10-17(14-16)26-15(2)3/h6-12,14-15H,4-5,13H2,1-3H3,(H,22,25)(H,23,24)
InChIKeySZLLFYXAWLGZKV-UHFFFAOYSA-N
XLogP4.26
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(4-propan-2-yloxybenzoyl)amino]-N-propylbenzamide
CID 4951942
2-[[3-(2-methylpropoxy)benzoyl]amino]-N-propylbenzamide
CID 17140344
N-butyl-2-[3-[(3-methoxybenzoyl)amino]propanoylamino]benzamide
CID 17226272
2-[(3-butoxybenzoyl)amino]-N-ethylbenzamide
CID 4956581
N-tert-butyl-2-[(3-propan-2-yloxybenzoyl)amino]benzamide
CID 8779150
N-(4-anilinophenyl)-2-[(3-propan-2-yloxybenzoyl)amino]benzamide
CID 17142457
N-butyl-2-[[3-(butylsulfamoyl)benzoyl]amino]benzamide
CID 17226854
N-[2-(butylcarbamoyl)phenyl]-3-iodo-4-methylbenzamide
CID 17149351
2-[(3-butoxybenzoyl)amino]-N-methylbenzamide
CID 17354046
2-benzamido-N-(3-butoxypropyl)benzamide
CID 30748297
N-[2-(butylcarbamoyl)phenyl]-3,4,5-triethoxybenzamide
CID 17256689
2-[(3-fluorobenzoyl)amino]-N-propylbenzamide
CID 8002041

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[(3-propan-2-yloxybenzoyl)amino]benzamide?
The IUPAC name of N-butyl-2-[(3-propan-2-yloxybenzoyl)amino]benzamide (CID 17149439) is N-butyl-2-[(3-propan-2-yloxybenzoyl)amino]benzamide.
What is the SMILES notation for N-butyl-2-[(3-propan-2-yloxybenzoyl)amino]benzamide?
The canonical SMILES for N-butyl-2-[(3-propan-2-yloxybenzoyl)amino]benzamide is CCCCNC(=O)c1ccccc1NC(=O)c1cccc(OC(C)C)c1.
What is the InChIKey of N-butyl-2-[(3-propan-2-yloxybenzoyl)amino]benzamide?
The InChIKey is SZLLFYXAWLGZKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-4-5-13-22-21(25)18-11-6-7-12-19(18)23-20(24)16-9-8-10-17(14-16)26-15(2)3/h6-12,14-15H,4-5,13H2,1-3H3,(H,22,25)(H,23,24).
What are the key properties of N-butyl-2-[(3-propan-2-yloxybenzoyl)amino]benzamide?
N-butyl-2-[(3-propan-2-yloxybenzoyl)amino]benzamide has a molecular weight of 354.45 g/mol, XLogP of 4.26, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[(3-propan-2-yloxybenzoyl)amino]benzamide is sourced from PubChem (CID 17149439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).