N-[1-[4-[2-(4-propan-2-ylphenyl)ethynyl]phenyl]propan-2-yl]cyclopropanecarboxamide

C24H27NO — CID 90429490

IUPACN-[1-[4-[2-(4-propan-2-ylphenyl)ethynyl]phenyl]propan-2-yl]cyclopropanecarboxamide
SMILESCC(Cc1ccc(C#Cc2ccc(C(C)C)cc2)cc1)NC(=O)C1CC1
InChIInChI=1S/C24H27NO/c1-17(2)22-12-10-20(11-13-22)5-4-19-6-8-21(9-7-19)16-18(3)25-24(26)23-14-15-23/h6-13,17-18,23H,14-16H2,1-3H3,(H,25,26)
InChIKeyVJLAAPXDNVBUOL-UHFFFAOYSA-N
MW345.49 g/mol
LogP4.67
Rot. Bonds5

About N-[1-[4-[2-(4-propan-2-ylphenyl)ethynyl]phenyl]propan-2-yl]cyclopropanecarboxamide

N-[1-[4-[2-(4-propan-2-ylphenyl)ethynyl]phenyl]propan-2-yl]cyclopropanecarboxamide (PubChem CID 90429490) has the molecular formula C24H27NO and a molecular weight of 345.49 g/mol. Its IUPAC name is N-[1-[4-[2-(4-propan-2-ylphenyl)ethynyl]phenyl]propan-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[1-[4-[2-(4-propan-2-ylphenyl)ethynyl]phenyl]propan-2-yl]cyclopropanecarboxamide
PubChem CID90429490
Molecular FormulaC24H27NO
Molecular Weight345.49 g/mol
Exact Mass345.21
IUPAC NameN-[1-[4-[2-(4-propan-2-ylphenyl)ethynyl]phenyl]propan-2-yl]cyclopropanecarboxamide
SMILESCC(Cc1ccc(C#Cc2ccc(C(C)C)cc2)cc1)NC(=O)C1CC1
InChIInChI=1S/C24H27NO/c1-17(2)22-12-10-20(11-13-22)5-4-19-6-8-21(9-7-19)16-18(3)25-24(26)23-14-15-23/h6-13,17-18,23H,14-16H2,1-3H3,(H,25,26)
InChIKeyVJLAAPXDNVBUOL-UHFFFAOYSA-N
XLogP4.67
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[2-(4-propan-2-ylphenyl)ethynyl]phenyl]propan-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[1-[4-[2-(4-propan-2-ylphenyl)ethynyl]phenyl]propan-2-yl]cyclopropanecarboxamide (CID 90429490) is N-[1-[4-[2-(4-propan-2-ylphenyl)ethynyl]phenyl]propan-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[1-[4-[2-(4-propan-2-ylphenyl)ethynyl]phenyl]propan-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[1-[4-[2-(4-propan-2-ylphenyl)ethynyl]phenyl]propan-2-yl]cyclopropanecarboxamide is CC(Cc1ccc(C#Cc2ccc(C(C)C)cc2)cc1)NC(=O)C1CC1.
What is the InChIKey of N-[1-[4-[2-(4-propan-2-ylphenyl)ethynyl]phenyl]propan-2-yl]cyclopropanecarboxamide?
The InChIKey is VJLAAPXDNVBUOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO/c1-17(2)22-12-10-20(11-13-22)5-4-19-6-8-21(9-7-19)16-18(3)25-24(26)23-14-15-23/h6-13,17-18,23H,14-16H2,1-3H3,(H,25,26).
What are the key properties of N-[1-[4-[2-(4-propan-2-ylphenyl)ethynyl]phenyl]propan-2-yl]cyclopropanecarboxamide?
N-[1-[4-[2-(4-propan-2-ylphenyl)ethynyl]phenyl]propan-2-yl]cyclopropanecarboxamide has a molecular weight of 345.49 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[2-(4-propan-2-ylphenyl)ethynyl]phenyl]propan-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 90429490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).