N-[2-[2-(2-phenylethynyl)phenyl]propan-2-yl]formamide

C18H17NO — CID 86605948

IUPACN-[2-[2-(2-phenylethynyl)phenyl]propan-2-yl]formamide
SMILESCC(C)(NC=O)c1ccccc1C#Cc1ccccc1
InChIInChI=1S/C18H17NO/c1-18(2,19-14-20)17-11-7-6-10-16(17)13-12-15-8-4-3-5-9-15/h3-11,14H,1-2H3,(H,19,20)
InChIKeyUECICKVDVDMDAY-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.07
Rot. Bonds3

About N-[2-[2-(2-phenylethynyl)phenyl]propan-2-yl]formamide

N-[2-[2-(2-phenylethynyl)phenyl]propan-2-yl]formamide (PubChem CID 86605948) has the molecular formula C18H17NO and a molecular weight of 263.34 g/mol. Its IUPAC name is N-[2-[2-(2-phenylethynyl)phenyl]propan-2-yl]formamide.

Molecular Properties

Compound NameN-[2-[2-(2-phenylethynyl)phenyl]propan-2-yl]formamide
PubChem CID86605948
Molecular FormulaC18H17NO
Molecular Weight263.34 g/mol
Exact Mass263.13
IUPAC NameN-[2-[2-(2-phenylethynyl)phenyl]propan-2-yl]formamide
SMILESCC(C)(NC=O)c1ccccc1C#Cc1ccccc1
InChIInChI=1S/C18H17NO/c1-18(2,19-14-20)17-11-7-6-10-16(17)13-12-15-8-4-3-5-9-15/h3-11,14H,1-2H3,(H,19,20)
InChIKeyUECICKVDVDMDAY-UHFFFAOYSA-N
XLogP3.07
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-phenylethynyl)phenyl]propan-2-yl]formamide?
The IUPAC name of N-[2-[2-(2-phenylethynyl)phenyl]propan-2-yl]formamide (CID 86605948) is N-[2-[2-(2-phenylethynyl)phenyl]propan-2-yl]formamide.
What is the SMILES notation for N-[2-[2-(2-phenylethynyl)phenyl]propan-2-yl]formamide?
The canonical SMILES for N-[2-[2-(2-phenylethynyl)phenyl]propan-2-yl]formamide is CC(C)(NC=O)c1ccccc1C#Cc1ccccc1.
What is the InChIKey of N-[2-[2-(2-phenylethynyl)phenyl]propan-2-yl]formamide?
The InChIKey is UECICKVDVDMDAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO/c1-18(2,19-14-20)17-11-7-6-10-16(17)13-12-15-8-4-3-5-9-15/h3-11,14H,1-2H3,(H,19,20).
What are the key properties of N-[2-[2-(2-phenylethynyl)phenyl]propan-2-yl]formamide?
N-[2-[2-(2-phenylethynyl)phenyl]propan-2-yl]formamide has a molecular weight of 263.34 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-phenylethynyl)phenyl]propan-2-yl]formamide is sourced from PubChem (CID 86605948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).