N-[[4-(2-propan-2-ylphenyl)phenyl]methyl]formamide

C17H19NO — CID 143478664

IUPACN-[[4-(2-propan-2-ylphenyl)phenyl]methyl]formamide
SMILESCC(C)c1ccccc1-c1ccc(CNC=O)cc1
InChIInChI=1S/C17H19NO/c1-13(2)16-5-3-4-6-17(16)15-9-7-14(8-10-15)11-18-12-19/h3-10,12-13H,11H2,1-2H3,(H,18,19)
InChIKeyJJTHYICBCPIAIY-UHFFFAOYSA-N
MW253.34 g/mol
LogP3.72
Rot. Bonds5

About N-[[4-(2-propan-2-ylphenyl)phenyl]methyl]formamide

N-[[4-(2-propan-2-ylphenyl)phenyl]methyl]formamide (PubChem CID 143478664) has the molecular formula C17H19NO and a molecular weight of 253.34 g/mol. Its IUPAC name is N-[[4-(2-propan-2-ylphenyl)phenyl]methyl]formamide.

Molecular Properties

Compound NameN-[[4-(2-propan-2-ylphenyl)phenyl]methyl]formamide
PubChem CID143478664
Molecular FormulaC17H19NO
Molecular Weight253.34 g/mol
Exact Mass253.15
IUPAC NameN-[[4-(2-propan-2-ylphenyl)phenyl]methyl]formamide
SMILESCC(C)c1ccccc1-c1ccc(CNC=O)cc1
InChIInChI=1S/C17H19NO/c1-13(2)16-5-3-4-6-17(16)15-9-7-14(8-10-15)11-18-12-19/h3-10,12-13H,11H2,1-2H3,(H,18,19)
InChIKeyJJTHYICBCPIAIY-UHFFFAOYSA-N
XLogP3.72
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-propan-2-ylphenyl)phenyl]methyl]formamide?
The IUPAC name of N-[[4-(2-propan-2-ylphenyl)phenyl]methyl]formamide (CID 143478664) is N-[[4-(2-propan-2-ylphenyl)phenyl]methyl]formamide.
What is the SMILES notation for N-[[4-(2-propan-2-ylphenyl)phenyl]methyl]formamide?
The canonical SMILES for N-[[4-(2-propan-2-ylphenyl)phenyl]methyl]formamide is CC(C)c1ccccc1-c1ccc(CNC=O)cc1.
What is the InChIKey of N-[[4-(2-propan-2-ylphenyl)phenyl]methyl]formamide?
The InChIKey is JJTHYICBCPIAIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-13(2)16-5-3-4-6-17(16)15-9-7-14(8-10-15)11-18-12-19/h3-10,12-13H,11H2,1-2H3,(H,18,19).
What are the key properties of N-[[4-(2-propan-2-ylphenyl)phenyl]methyl]formamide?
N-[[4-(2-propan-2-ylphenyl)phenyl]methyl]formamide has a molecular weight of 253.34 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-propan-2-ylphenyl)phenyl]methyl]formamide is sourced from PubChem (CID 143478664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).