N-but-3-ynyl-2,2-diphenylacetamide

C18H17NO — CID 90537904

IUPACN-but-3-ynyl-2,2-diphenylacetamide
SMILESC#CCCNC(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H17NO/c1-2-3-14-19-18(20)17(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h1,4-13,17H,3,14H2,(H,19,20)
InChIKeyQVGWNPGAVONHCR-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.96
Rot. Bonds5

About N-but-3-ynyl-2,2-diphenylacetamide

N-but-3-ynyl-2,2-diphenylacetamide (PubChem CID 90537904) has the molecular formula C18H17NO and a molecular weight of 263.34 g/mol. Its IUPAC name is N-but-3-ynyl-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-but-3-ynyl-2,2-diphenylacetamide
PubChem CID90537904
Molecular FormulaC18H17NO
Molecular Weight263.34 g/mol
Exact Mass263.13
IUPAC NameN-but-3-ynyl-2,2-diphenylacetamide
SMILESC#CCCNC(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H17NO/c1-2-3-14-19-18(20)17(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h1,4-13,17H,3,14H2,(H,19,20)
InChIKeyQVGWNPGAVONHCR-UHFFFAOYSA-N
XLogP2.96
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[(2,2-diphenylacetyl)amino]ethanesulfonic acid
CID 7209593
N-(3-aminopropyl)-2,2-diphenylacetamide
CID 10539859
N-dodecyl-2,2-diphenylacetamide
CID 5143289
2,2-diphenyl-N-(3-sulfamoylpropyl)acetamide
CID 47067593
2-phenyl-N-prop-2-ynylpropanamide
CID 104916558
N-(2-amino-2-methylpropyl)-2,2-diphenylacetamide
CID 119628942
[(2S)-1-oxo-1-(prop-2-ynylamino)propan-2-yl] 2,2-diphenylacetate
CID 30535420
1-benzhydryl-3-prop-2-ynylurea
CID 41304336
1-benzyl-3-but-3-ynylurea
CID 56765727
N-[2-(methylamino)propyl]-2,2-diphenylacetamide
CID 120829016
N-but-3-ynyl-2-ethylsulfanylbenzamide
CID 90537926
N-(11-oxoundecyl)-2,2-diphenylacetamide
CID 54147901

Frequently Asked Questions

What is the IUPAC name of N-but-3-ynyl-2,2-diphenylacetamide?
The IUPAC name of N-but-3-ynyl-2,2-diphenylacetamide (CID 90537904) is N-but-3-ynyl-2,2-diphenylacetamide.
What is the SMILES notation for N-but-3-ynyl-2,2-diphenylacetamide?
The canonical SMILES for N-but-3-ynyl-2,2-diphenylacetamide is C#CCCNC(=O)C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-but-3-ynyl-2,2-diphenylacetamide?
The InChIKey is QVGWNPGAVONHCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO/c1-2-3-14-19-18(20)17(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h1,4-13,17H,3,14H2,(H,19,20).
What are the key properties of N-but-3-ynyl-2,2-diphenylacetamide?
N-but-3-ynyl-2,2-diphenylacetamide has a molecular weight of 263.34 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-ynyl-2,2-diphenylacetamide is sourced from PubChem (CID 90537904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).