2-[4-(formamidomethyl)phenyl]-N,N,2-trimethylpropanamide

C14H20N2O2 — CID 143561250

IUPAC2-[4-(formamidomethyl)phenyl]-N,N,2-trimethylpropanamide
SMILESCN(C)C(=O)C(C)(C)c1ccc(CNC=O)cc1
InChIInChI=1S/C14H20N2O2/c1-14(2,13(18)16(3)4)12-7-5-11(6-8-12)9-15-10-17/h5-8,10H,9H2,1-4H3,(H,15,17)
InChIKeyQAVBAYOWUODVOB-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.30
Rot. Bonds5

About 2-[4-(formamidomethyl)phenyl]-N,N,2-trimethylpropanamide

2-[4-(formamidomethyl)phenyl]-N,N,2-trimethylpropanamide (PubChem CID 143561250) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-[4-(formamidomethyl)phenyl]-N,N,2-trimethylpropanamide.

Molecular Properties

Compound Name2-[4-(formamidomethyl)phenyl]-N,N,2-trimethylpropanamide
PubChem CID143561250
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-[4-(formamidomethyl)phenyl]-N,N,2-trimethylpropanamide
SMILESCN(C)C(=O)C(C)(C)c1ccc(CNC=O)cc1
InChIInChI=1S/C14H20N2O2/c1-14(2,13(18)16(3)4)12-7-5-11(6-8-12)9-15-10-17/h5-8,10H,9H2,1-4H3,(H,15,17)
InChIKeyQAVBAYOWUODVOB-UHFFFAOYSA-N
XLogP1.30
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(formamidomethyl)phenyl]-N,N,2-trimethylpropanamide?
The IUPAC name of 2-[4-(formamidomethyl)phenyl]-N,N,2-trimethylpropanamide (CID 143561250) is 2-[4-(formamidomethyl)phenyl]-N,N,2-trimethylpropanamide.
What is the SMILES notation for 2-[4-(formamidomethyl)phenyl]-N,N,2-trimethylpropanamide?
The canonical SMILES for 2-[4-(formamidomethyl)phenyl]-N,N,2-trimethylpropanamide is CN(C)C(=O)C(C)(C)c1ccc(CNC=O)cc1.
What is the InChIKey of 2-[4-(formamidomethyl)phenyl]-N,N,2-trimethylpropanamide?
The InChIKey is QAVBAYOWUODVOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-14(2,13(18)16(3)4)12-7-5-11(6-8-12)9-15-10-17/h5-8,10H,9H2,1-4H3,(H,15,17).
What are the key properties of 2-[4-(formamidomethyl)phenyl]-N,N,2-trimethylpropanamide?
2-[4-(formamidomethyl)phenyl]-N,N,2-trimethylpropanamide has a molecular weight of 248.33 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(formamidomethyl)phenyl]-N,N,2-trimethylpropanamide is sourced from PubChem (CID 143561250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).