2-(4-benzamidobut-2-ynoxy)benzamide

C18H16N2O3 — CID 90580452

IUPAC2-(4-benzamidobut-2-ynoxy)benzamide
SMILESNC(=O)c1ccccc1OCC#CCNC(=O)c1ccccc1
InChIInChI=1S/C18H16N2O3/c19-17(21)15-10-4-5-11-16(15)23-13-7-6-12-20-18(22)14-8-2-1-3-9-14/h1-5,8-11H,12-13H2,(H2,19,21)(H,20,22)
InChIKeyARGVLHQJNJYYPO-UHFFFAOYSA-N
MW308.34 g/mol
LogP1.60
Rot. Bonds5

About 2-(4-benzamidobut-2-ynoxy)benzamide

2-(4-benzamidobut-2-ynoxy)benzamide (PubChem CID 90580452) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is 2-(4-benzamidobut-2-ynoxy)benzamide.

Molecular Properties

Compound Name2-(4-benzamidobut-2-ynoxy)benzamide
PubChem CID90580452
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Name2-(4-benzamidobut-2-ynoxy)benzamide
SMILESNC(=O)c1ccccc1OCC#CCNC(=O)c1ccccc1
InChIInChI=1S/C18H16N2O3/c19-17(21)15-10-4-5-11-16(15)23-13-7-6-12-20-18(22)14-8-2-1-3-9-14/h1-5,8-11H,12-13H2,(H2,19,21)(H,20,22)
InChIKeyARGVLHQJNJYYPO-UHFFFAOYSA-N
XLogP1.60
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(2-carbamoylphenoxy)but-2-ynyl]naphthalene-2-carboxamide
CID 90580490
2-[4-[[3-(dimethylamino)benzoyl]amino]but-2-ynoxy]benzamide
CID 90580556
2-[4-[(2-methylsulfanylbenzoyl)amino]but-2-ynoxy]benzamide
CID 90580532
2-(benzamidomethoxy)benzamide
CID 141178431
2-[4-(benzylcarbamoylamino)but-2-ynoxy]benzamide
CID 71803302
N-[4-(2-carbamoylphenoxy)but-2-ynyl]-2-nitrobenzamide
CID 90580480
N-(4-naphthalen-1-yloxybut-2-ynyl)benzamide
CID 90578060
N-[4-(2-carbamoylphenoxy)but-2-ynyl]-1-methyltriazole-4-carboxamide
CID 71803293
ethyl 2-[4-(2-carbamoylphenoxy)but-2-ynylamino]-2-oxoacetate
CID 90580446
2-but-2-ynoxybenzamide
CID 177469094
2-(4-aminobut-2-ynoxy)benzamide
CID 126851898
2-[4-[(2-thiophen-2-ylacetyl)amino]but-2-ynoxy]benzamide
CID 71803258

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzamidobut-2-ynoxy)benzamide?
The IUPAC name of 2-(4-benzamidobut-2-ynoxy)benzamide (CID 90580452) is 2-(4-benzamidobut-2-ynoxy)benzamide.
What is the SMILES notation for 2-(4-benzamidobut-2-ynoxy)benzamide?
The canonical SMILES for 2-(4-benzamidobut-2-ynoxy)benzamide is NC(=O)c1ccccc1OCC#CCNC(=O)c1ccccc1.
What is the InChIKey of 2-(4-benzamidobut-2-ynoxy)benzamide?
The InChIKey is ARGVLHQJNJYYPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c19-17(21)15-10-4-5-11-16(15)23-13-7-6-12-20-18(22)14-8-2-1-3-9-14/h1-5,8-11H,12-13H2,(H2,19,21)(H,20,22).
What are the key properties of 2-(4-benzamidobut-2-ynoxy)benzamide?
2-(4-benzamidobut-2-ynoxy)benzamide has a molecular weight of 308.34 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzamidobut-2-ynoxy)benzamide is sourced from PubChem (CID 90580452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).