N-[4-(2,2-dimethylbutyl)phenyl]-N-methylformamide

C14H21NO — CID 142118685

IUPACN-[4-(2,2-dimethylbutyl)phenyl]-N-methylformamide
SMILESCCC(C)(C)Cc1ccc(N(C)C=O)cc1
InChIInChI=1S/C14H21NO/c1-5-14(2,3)10-12-6-8-13(9-7-12)15(4)11-16/h6-9,11H,5,10H2,1-4H3
InChIKeyXCOHFKHHZGKSPC-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.26
Rot. Bonds5

About N-[4-(2,2-dimethylbutyl)phenyl]-N-methylformamide

N-[4-(2,2-dimethylbutyl)phenyl]-N-methylformamide (PubChem CID 142118685) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is N-[4-(2,2-dimethylbutyl)phenyl]-N-methylformamide.

Molecular Properties

Compound NameN-[4-(2,2-dimethylbutyl)phenyl]-N-methylformamide
PubChem CID142118685
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC NameN-[4-(2,2-dimethylbutyl)phenyl]-N-methylformamide
SMILESCCC(C)(C)Cc1ccc(N(C)C=O)cc1
InChIInChI=1S/C14H21NO/c1-5-14(2,3)10-12-6-8-13(9-7-12)15(4)11-16/h6-9,11H,5,10H2,1-4H3
InChIKeyXCOHFKHHZGKSPC-UHFFFAOYSA-N
XLogP3.26
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2,2-dimethylbutyl)phenyl]-N-methylformamide?
The IUPAC name of N-[4-(2,2-dimethylbutyl)phenyl]-N-methylformamide (CID 142118685) is N-[4-(2,2-dimethylbutyl)phenyl]-N-methylformamide.
What is the SMILES notation for N-[4-(2,2-dimethylbutyl)phenyl]-N-methylformamide?
The canonical SMILES for N-[4-(2,2-dimethylbutyl)phenyl]-N-methylformamide is CCC(C)(C)Cc1ccc(N(C)C=O)cc1.
What is the InChIKey of N-[4-(2,2-dimethylbutyl)phenyl]-N-methylformamide?
The InChIKey is XCOHFKHHZGKSPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-5-14(2,3)10-12-6-8-13(9-7-12)15(4)11-16/h6-9,11H,5,10H2,1-4H3.
What are the key properties of N-[4-(2,2-dimethylbutyl)phenyl]-N-methylformamide?
N-[4-(2,2-dimethylbutyl)phenyl]-N-methylformamide has a molecular weight of 219.33 g/mol, XLogP of 3.26, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,2-dimethylbutyl)phenyl]-N-methylformamide is sourced from PubChem (CID 142118685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).