N-[2-methyl-1-(2,4,6-trimethylphenyl)propan-2-yl]formamide

C14H21NO — CID 22314552

IUPACN-[2-methyl-1-(2,4,6-trimethylphenyl)propan-2-yl]formamide
SMILESCc1cc(C)c(CC(C)(C)NC=O)c(C)c1
InChIInChI=1S/C14H21NO/c1-10-6-11(2)13(12(3)7-10)8-14(4,5)15-9-16/h6-7,9H,8H2,1-5H3,(H,15,16)
InChIKeyOEHIHMKKAWOIAW-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.68
Rot. Bonds4

About N-[2-methyl-1-(2,4,6-trimethylphenyl)propan-2-yl]formamide

N-[2-methyl-1-(2,4,6-trimethylphenyl)propan-2-yl]formamide (PubChem CID 22314552) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is N-[2-methyl-1-(2,4,6-trimethylphenyl)propan-2-yl]formamide.

Molecular Properties

Compound NameN-[2-methyl-1-(2,4,6-trimethylphenyl)propan-2-yl]formamide
PubChem CID22314552
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC NameN-[2-methyl-1-(2,4,6-trimethylphenyl)propan-2-yl]formamide
SMILESCc1cc(C)c(CC(C)(C)NC=O)c(C)c1
InChIInChI=1S/C14H21NO/c1-10-6-11(2)13(12(3)7-10)8-14(4,5)15-9-16/h6-7,9H,8H2,1-5H3,(H,15,16)
InChIKeyOEHIHMKKAWOIAW-UHFFFAOYSA-N
XLogP2.68
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.68
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-[2-methyl-1-(2,4,6-trimethylphenyl)propan-2-yl]formamide?
The IUPAC name of N-[2-methyl-1-(2,4,6-trimethylphenyl)propan-2-yl]formamide (CID 22314552) is N-[2-methyl-1-(2,4,6-trimethylphenyl)propan-2-yl]formamide.
What is the SMILES notation for N-[2-methyl-1-(2,4,6-trimethylphenyl)propan-2-yl]formamide?
The canonical SMILES for N-[2-methyl-1-(2,4,6-trimethylphenyl)propan-2-yl]formamide is Cc1cc(C)c(CC(C)(C)NC=O)c(C)c1.
What is the InChIKey of N-[2-methyl-1-(2,4,6-trimethylphenyl)propan-2-yl]formamide?
The InChIKey is OEHIHMKKAWOIAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-10-6-11(2)13(12(3)7-10)8-14(4,5)15-9-16/h6-7,9H,8H2,1-5H3,(H,15,16).
What are the key properties of N-[2-methyl-1-(2,4,6-trimethylphenyl)propan-2-yl]formamide?
N-[2-methyl-1-(2,4,6-trimethylphenyl)propan-2-yl]formamide has a molecular weight of 219.33 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-1-(2,4,6-trimethylphenyl)propan-2-yl]formamide is sourced from PubChem (CID 22314552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).