N-(4-amino-2,5-dimethylphenyl)-2,2-dimethylbutanamide

C14H22N2O — CID 103144437

IUPACN-(4-amino-2,5-dimethylphenyl)-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)Nc1cc(C)c(N)cc1C
InChIInChI=1S/C14H22N2O/c1-6-14(4,5)13(17)16-12-8-9(2)11(15)7-10(12)3/h7-8H,6,15H2,1-5H3,(H,16,17)
InChIKeyRZTVSJRDKIULGF-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.26
Rot. Bonds3

About N-(4-amino-2,5-dimethylphenyl)-2,2-dimethylbutanamide

N-(4-amino-2,5-dimethylphenyl)-2,2-dimethylbutanamide (PubChem CID 103144437) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N-(4-amino-2,5-dimethylphenyl)-2,2-dimethylbutanamide.

Molecular Properties

Compound NameN-(4-amino-2,5-dimethylphenyl)-2,2-dimethylbutanamide
PubChem CID103144437
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN-(4-amino-2,5-dimethylphenyl)-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)Nc1cc(C)c(N)cc1C
InChIInChI=1S/C14H22N2O/c1-6-14(4,5)13(17)16-12-8-9(2)11(15)7-10(12)3/h7-8H,6,15H2,1-5H3,(H,16,17)
InChIKeyRZTVSJRDKIULGF-UHFFFAOYSA-N
XLogP3.26
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2,5-dimethylphenyl)-2,2-dimethylbutanamide?
The IUPAC name of N-(4-amino-2,5-dimethylphenyl)-2,2-dimethylbutanamide (CID 103144437) is N-(4-amino-2,5-dimethylphenyl)-2,2-dimethylbutanamide.
What is the SMILES notation for N-(4-amino-2,5-dimethylphenyl)-2,2-dimethylbutanamide?
The canonical SMILES for N-(4-amino-2,5-dimethylphenyl)-2,2-dimethylbutanamide is CCC(C)(C)C(=O)Nc1cc(C)c(N)cc1C.
What is the InChIKey of N-(4-amino-2,5-dimethylphenyl)-2,2-dimethylbutanamide?
The InChIKey is RZTVSJRDKIULGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-6-14(4,5)13(17)16-12-8-9(2)11(15)7-10(12)3/h7-8H,6,15H2,1-5H3,(H,16,17).
What are the key properties of N-(4-amino-2,5-dimethylphenyl)-2,2-dimethylbutanamide?
N-(4-amino-2,5-dimethylphenyl)-2,2-dimethylbutanamide has a molecular weight of 234.34 g/mol, XLogP of 3.26, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2,5-dimethylphenyl)-2,2-dimethylbutanamide is sourced from PubChem (CID 103144437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).