N-butoxy-N-(2-phenylethynyl)benzamide

C19H19NO2 — CID 87815737

IUPACN-butoxy-N-(2-phenylethynyl)benzamide
SMILESCCCCON(C#Cc1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C19H19NO2/c1-2-3-16-22-20(15-14-17-10-6-4-7-11-17)19(21)18-12-8-5-9-13-18/h4-13H,2-3,16H2,1H3
InChIKeyPKUWQJQTCDZPLD-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.87
Rot. Bonds5

About N-butoxy-N-(2-phenylethynyl)benzamide

N-butoxy-N-(2-phenylethynyl)benzamide (PubChem CID 87815737) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is N-butoxy-N-(2-phenylethynyl)benzamide.

Molecular Properties

Compound NameN-butoxy-N-(2-phenylethynyl)benzamide
PubChem CID87815737
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC NameN-butoxy-N-(2-phenylethynyl)benzamide
SMILESCCCCON(C#Cc1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C19H19NO2/c1-2-3-16-22-20(15-14-17-10-6-4-7-11-17)19(21)18-12-8-5-9-13-18/h4-13H,2-3,16H2,1H3
InChIKeyPKUWQJQTCDZPLD-UHFFFAOYSA-N
XLogP3.87
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

butyl 3-phenylprop-2-ynoate
CID 11769566
butyl benzoate;methane
CID 174523775
(111C)butyl benzoate
CID 11994383
butyl benzoate;dihydrochloride
CID 141031125
benzoic acid;butyl acetate
CID 67420594
butyl benzoate;hexyl benzoate
CID 22163024
N-butyl-3-phenylprop-2-ynamide
CID 141247412
1,1'-biphenyl;butyl benzoate
CID 67401065
butyl hydrogen carbonate;1-phenylethanone
CID 161206169
[butoxy-(4-phenylbenzoyl)amino] acetate
CID 57348489
butyl 4-(diphenylcarbamoyl)benzoate
CID 91733806
1-pentoxy-4-(2-phenylethynyl)benzene
CID 139636214

Frequently Asked Questions

What is the IUPAC name of N-butoxy-N-(2-phenylethynyl)benzamide?
The IUPAC name of N-butoxy-N-(2-phenylethynyl)benzamide (CID 87815737) is N-butoxy-N-(2-phenylethynyl)benzamide.
What is the SMILES notation for N-butoxy-N-(2-phenylethynyl)benzamide?
The canonical SMILES for N-butoxy-N-(2-phenylethynyl)benzamide is CCCCON(C#Cc1ccccc1)C(=O)c1ccccc1.
What is the InChIKey of N-butoxy-N-(2-phenylethynyl)benzamide?
The InChIKey is PKUWQJQTCDZPLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2/c1-2-3-16-22-20(15-14-17-10-6-4-7-11-17)19(21)18-12-8-5-9-13-18/h4-13H,2-3,16H2,1H3.
What are the key properties of N-butoxy-N-(2-phenylethynyl)benzamide?
N-butoxy-N-(2-phenylethynyl)benzamide has a molecular weight of 293.37 g/mol, XLogP of 3.87, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butoxy-N-(2-phenylethynyl)benzamide is sourced from PubChem (CID 87815737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).