2-benzamido-N-(3-butoxypropyl)benzamide

C21H26N2O3 — CID 30748297

IUPAC2-benzamido-N-(3-butoxypropyl)benzamide
SMILESCCCCOCCCNC(=O)c1ccccc1NC(=O)c1ccccc1
InChIInChI=1S/C21H26N2O3/c1-2-3-15-26-16-9-14-22-21(25)18-12-7-8-13-19(18)23-20(24)17-10-5-4-6-11-17/h4-8,10-13H,2-3,9,14-16H2,1H3,(H,22,25)(H,23,24)
InChIKeyZZVJGJSHTBJMGY-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.88
Rot. Bonds10

About 2-benzamido-N-(3-butoxypropyl)benzamide

2-benzamido-N-(3-butoxypropyl)benzamide (PubChem CID 30748297) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 2-benzamido-N-(3-butoxypropyl)benzamide.

Molecular Properties

Compound Name2-benzamido-N-(3-butoxypropyl)benzamide
PubChem CID30748297
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name2-benzamido-N-(3-butoxypropyl)benzamide
SMILESCCCCOCCCNC(=O)c1ccccc1NC(=O)c1ccccc1
InChIInChI=1S/C21H26N2O3/c1-2-3-15-26-16-9-14-22-21(25)18-12-7-8-13-19(18)23-20(24)17-10-5-4-6-11-17/h4-8,10-13H,2-3,9,14-16H2,1H3,(H,22,25)(H,23,24)
InChIKeyZZVJGJSHTBJMGY-UHFFFAOYSA-N
XLogP3.88
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.88
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-(butanoylamino)benzoyl]amino]-N-(3-ethoxypropyl)benzamide
CID 17312154
N-(3-ethoxypropyl)-2-[[4-(2-methylpropanoylamino)benzoyl]amino]benzamide
CID 17312166
N-(3-ethoxypropyl)-2-[(2-iodobenzoyl)amino]benzamide
CID 17311583
N-[2-(butylcarbamoyl)phenyl]-3,4,5-triethoxybenzamide
CID 17256689
2-[(4-propan-2-yloxybenzoyl)amino]-N-propylbenzamide
CID 4951942
2-benzamido-N-[2-(2-methoxyphenoxy)ethyl]benzamide
CID 26549757
N-ethyl-2-[(4-hexoxybenzoyl)amino]benzamide
CID 4933761
2-[(2-benzamidobenzoyl)amino]ethyl-diethylazanium
CID 2221445
N-butyl-2-[(3-propan-2-yloxybenzoyl)amino]benzamide
CID 17149439
2-benzamido-N-[2-(2-methylpropanoylamino)ethyl]benzamide
CID 30548525
2-[(4-ethylbenzoyl)amino]-N-(2-phenoxyethyl)benzamide
CID 5298546
2-[(3-butoxybenzoyl)amino]-N-ethylbenzamide
CID 4956581

Frequently Asked Questions

What is the IUPAC name of 2-benzamido-N-(3-butoxypropyl)benzamide?
The IUPAC name of 2-benzamido-N-(3-butoxypropyl)benzamide (CID 30748297) is 2-benzamido-N-(3-butoxypropyl)benzamide.
What is the SMILES notation for 2-benzamido-N-(3-butoxypropyl)benzamide?
The canonical SMILES for 2-benzamido-N-(3-butoxypropyl)benzamide is CCCCOCCCNC(=O)c1ccccc1NC(=O)c1ccccc1.
What is the InChIKey of 2-benzamido-N-(3-butoxypropyl)benzamide?
The InChIKey is ZZVJGJSHTBJMGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-2-3-15-26-16-9-14-22-21(25)18-12-7-8-13-19(18)23-20(24)17-10-5-4-6-11-17/h4-8,10-13H,2-3,9,14-16H2,1H3,(H,22,25)(H,23,24).
What are the key properties of 2-benzamido-N-(3-butoxypropyl)benzamide?
2-benzamido-N-(3-butoxypropyl)benzamide has a molecular weight of 354.45 g/mol, XLogP of 3.88, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzamido-N-(3-butoxypropyl)benzamide is sourced from PubChem (CID 30748297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).