N-[2,4,6-tri(propan-2-yl)phenyl]formamide

C16H25NO — CID 13440653

IUPACN-[2,4,6-tri(propan-2-yl)phenyl]formamide
SMILESCC(C)c1cc(C(C)C)c(NC=O)c(C(C)C)c1
InChIInChI=1S/C16H25NO/c1-10(2)13-7-14(11(3)4)16(17-9-18)15(8-13)12(5)6/h7-12H,1-6H3,(H,17,18)
InChIKeyKNKPYNJTJKOAEE-UHFFFAOYSA-N
MW247.38 g/mol
LogP4.63
Rot. Bonds5

About N-[2,4,6-tri(propan-2-yl)phenyl]formamide

N-[2,4,6-tri(propan-2-yl)phenyl]formamide (PubChem CID 13440653) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-[2,4,6-tri(propan-2-yl)phenyl]formamide.

Molecular Properties

Compound NameN-[2,4,6-tri(propan-2-yl)phenyl]formamide
PubChem CID13440653
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-[2,4,6-tri(propan-2-yl)phenyl]formamide
SMILESCC(C)c1cc(C(C)C)c(NC=O)c(C(C)C)c1
InChIInChI=1S/C16H25NO/c1-10(2)13-7-14(11(3)4)16(17-9-18)15(8-13)12(5)6/h7-12H,1-6H3,(H,17,18)
InChIKeyKNKPYNJTJKOAEE-UHFFFAOYSA-N
XLogP4.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[2,4,6-tri(propan-2-yl)phenyl]formamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2,4,6-tri(propan-2-yl)phenyl]formamide?
The IUPAC name of N-[2,4,6-tri(propan-2-yl)phenyl]formamide (CID 13440653) is N-[2,4,6-tri(propan-2-yl)phenyl]formamide.
What is the SMILES notation for N-[2,4,6-tri(propan-2-yl)phenyl]formamide?
The canonical SMILES for N-[2,4,6-tri(propan-2-yl)phenyl]formamide is CC(C)c1cc(C(C)C)c(NC=O)c(C(C)C)c1.
What is the InChIKey of N-[2,4,6-tri(propan-2-yl)phenyl]formamide?
The InChIKey is KNKPYNJTJKOAEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-10(2)13-7-14(11(3)4)16(17-9-18)15(8-13)12(5)6/h7-12H,1-6H3,(H,17,18).
What are the key properties of N-[2,4,6-tri(propan-2-yl)phenyl]formamide?
N-[2,4,6-tri(propan-2-yl)phenyl]formamide has a molecular weight of 247.38 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,4,6-tri(propan-2-yl)phenyl]formamide is sourced from PubChem (CID 13440653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).