N-[1-(3,5-dimethylphenyl)-2-methylpropan-2-yl]formamide

C13H19NO — CID 86078614

IUPACN-[1-(3,5-dimethylphenyl)-2-methylpropan-2-yl]formamide
SMILESCc1cc(C)cc(CC(C)(C)NC=O)c1
InChIInChI=1S/C13H19NO/c1-10-5-11(2)7-12(6-10)8-13(3,4)14-9-15/h5-7,9H,8H2,1-4H3,(H,14,15)
InChIKeyZIVMIHVVBJAMBJ-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.37
Rot. Bonds4

About N-[1-(3,5-dimethylphenyl)-2-methylpropan-2-yl]formamide

N-[1-(3,5-dimethylphenyl)-2-methylpropan-2-yl]formamide (PubChem CID 86078614) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is N-[1-(3,5-dimethylphenyl)-2-methylpropan-2-yl]formamide.

Molecular Properties

Compound NameN-[1-(3,5-dimethylphenyl)-2-methylpropan-2-yl]formamide
PubChem CID86078614
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC NameN-[1-(3,5-dimethylphenyl)-2-methylpropan-2-yl]formamide
SMILESCc1cc(C)cc(CC(C)(C)NC=O)c1
InChIInChI=1S/C13H19NO/c1-10-5-11(2)7-12(6-10)8-13(3,4)14-9-15/h5-7,9H,8H2,1-4H3,(H,14,15)
InChIKeyZIVMIHVVBJAMBJ-UHFFFAOYSA-N
XLogP2.37
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.37
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-[1-(3,5-dimethylphenyl)-2-methylpropan-2-yl]formamide?
The IUPAC name of N-[1-(3,5-dimethylphenyl)-2-methylpropan-2-yl]formamide (CID 86078614) is N-[1-(3,5-dimethylphenyl)-2-methylpropan-2-yl]formamide.
What is the SMILES notation for N-[1-(3,5-dimethylphenyl)-2-methylpropan-2-yl]formamide?
The canonical SMILES for N-[1-(3,5-dimethylphenyl)-2-methylpropan-2-yl]formamide is Cc1cc(C)cc(CC(C)(C)NC=O)c1.
What is the InChIKey of N-[1-(3,5-dimethylphenyl)-2-methylpropan-2-yl]formamide?
The InChIKey is ZIVMIHVVBJAMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-10-5-11(2)7-12(6-10)8-13(3,4)14-9-15/h5-7,9H,8H2,1-4H3,(H,14,15).
What are the key properties of N-[1-(3,5-dimethylphenyl)-2-methylpropan-2-yl]formamide?
N-[1-(3,5-dimethylphenyl)-2-methylpropan-2-yl]formamide has a molecular weight of 205.30 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dimethylphenyl)-2-methylpropan-2-yl]formamide is sourced from PubChem (CID 86078614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).