N-(4-amino-2,5-dimethylphenyl)-2-methyl-2-phenylpropanamide

C18H22N2O — CID 103144554

IUPACN-(4-amino-2,5-dimethylphenyl)-2-methyl-2-phenylpropanamide
SMILESCc1cc(NC(=O)C(C)(C)c2ccccc2)c(C)cc1N
InChIInChI=1S/C18H22N2O/c1-12-11-16(13(2)10-15(12)19)20-17(21)18(3,4)14-8-6-5-7-9-14/h5-11H,19H2,1-4H3,(H,20,21)
InChIKeyQZIVKKDUZKHKCV-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.80
Rot. Bonds3

About N-(4-amino-2,5-dimethylphenyl)-2-methyl-2-phenylpropanamide

N-(4-amino-2,5-dimethylphenyl)-2-methyl-2-phenylpropanamide (PubChem CID 103144554) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is N-(4-amino-2,5-dimethylphenyl)-2-methyl-2-phenylpropanamide.

Molecular Properties

Compound NameN-(4-amino-2,5-dimethylphenyl)-2-methyl-2-phenylpropanamide
PubChem CID103144554
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC NameN-(4-amino-2,5-dimethylphenyl)-2-methyl-2-phenylpropanamide
SMILESCc1cc(NC(=O)C(C)(C)c2ccccc2)c(C)cc1N
InChIInChI=1S/C18H22N2O/c1-12-11-16(13(2)10-15(12)19)20-17(21)18(3,4)14-8-6-5-7-9-14/h5-11H,19H2,1-4H3,(H,20,21)
InChIKeyQZIVKKDUZKHKCV-UHFFFAOYSA-N
XLogP3.80
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.80
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-methyl-2-phenylpropanamide?
The IUPAC name of N-(4-amino-2,5-dimethylphenyl)-2-methyl-2-phenylpropanamide (CID 103144554) is N-(4-amino-2,5-dimethylphenyl)-2-methyl-2-phenylpropanamide.
What is the SMILES notation for N-(4-amino-2,5-dimethylphenyl)-2-methyl-2-phenylpropanamide?
The canonical SMILES for N-(4-amino-2,5-dimethylphenyl)-2-methyl-2-phenylpropanamide is Cc1cc(NC(=O)C(C)(C)c2ccccc2)c(C)cc1N.
What is the InChIKey of N-(4-amino-2,5-dimethylphenyl)-2-methyl-2-phenylpropanamide?
The InChIKey is QZIVKKDUZKHKCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-12-11-16(13(2)10-15(12)19)20-17(21)18(3,4)14-8-6-5-7-9-14/h5-11H,19H2,1-4H3,(H,20,21).
What are the key properties of N-(4-amino-2,5-dimethylphenyl)-2-methyl-2-phenylpropanamide?
N-(4-amino-2,5-dimethylphenyl)-2-methyl-2-phenylpropanamide has a molecular weight of 282.39 g/mol, XLogP of 3.80, 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-methyl-2-phenylpropanamide is sourced from PubChem (CID 103144554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).