N-(3-amino-4-methoxyphenyl)-2,2-dimethyl-3-phenylpropanamide

C18H22N2O2 — CID 119419521

IUPACN-(3-amino-4-methoxyphenyl)-2,2-dimethyl-3-phenylpropanamide
SMILESCOc1ccc(NC(=O)C(C)(C)Cc2ccccc2)cc1N
InChIInChI=1S/C18H22N2O2/c1-18(2,12-13-7-5-4-6-8-13)17(21)20-14-9-10-16(22-3)15(19)11-14/h4-11H,12,19H2,1-3H3,(H,20,21)
InChIKeyLCLBIJGXZJYOSU-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.48
Rot. Bonds5

About N-(3-amino-4-methoxyphenyl)-2,2-dimethyl-3-phenylpropanamide

N-(3-amino-4-methoxyphenyl)-2,2-dimethyl-3-phenylpropanamide (PubChem CID 119419521) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is N-(3-amino-4-methoxyphenyl)-2,2-dimethyl-3-phenylpropanamide.

Molecular Properties

Compound NameN-(3-amino-4-methoxyphenyl)-2,2-dimethyl-3-phenylpropanamide
PubChem CID119419521
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC NameN-(3-amino-4-methoxyphenyl)-2,2-dimethyl-3-phenylpropanamide
SMILESCOc1ccc(NC(=O)C(C)(C)Cc2ccccc2)cc1N
InChIInChI=1S/C18H22N2O2/c1-18(2,12-13-7-5-4-6-8-13)17(21)20-14-9-10-16(22-3)15(19)11-14/h4-11H,12,19H2,1-3H3,(H,20,21)
InChIKeyLCLBIJGXZJYOSU-UHFFFAOYSA-N
XLogP3.48
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4-chlorophenyl)-N-(3,4-dimethoxyphenyl)-2,2-dimethylpropanamide
CID 100782698
N-(3-amino-4-methoxyphenyl)-2-(3,4-dimethoxyphenyl)-2-methylpropanamide
CID 119419317
N-(3-amino-4-methoxyphenyl)-2-methyl-2-methylsulfonylpropanamide;hydrochloride
CID 119419084
N-(3-amino-4-methoxyphenyl)benzamide;molecular nitrogen
CID 174994775
N-(3-amino-4-methoxyphenyl)-2-(3,4-dimethoxyphenyl)-2-methylpropanamide;hydrochloride
CID 119419316
N-(3-amino-4-methoxyphenyl)-2-chlorobenzamide
CID 23464385
N-(3-amino-4-methoxyphenyl)-1-benzylcyclobutane-1-carboxamide;hydrochloride
CID 119420360
N-(3-amino-4-methoxyphenyl)-2,2,3,3-tetrafluoropropanamide;hydrochloride
CID 119419546
2-(3-aminophenyl)-N-(3-chloro-4-methoxyphenyl)acetamide
CID 28712195
N-(3-amino-4-methoxyphenyl)-2-[(2-phenylacetyl)amino]pentanamide
CID 119419213
1-(3-amino-4-methoxyphenyl)-3-(2-methoxyphenyl)urea
CID 43602334
N-(3-amino-4-methoxyphenyl)-2,3,3-trimethylbutanamide
CID 119419413

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methoxyphenyl)-2,2-dimethyl-3-phenylpropanamide?
The IUPAC name of N-(3-amino-4-methoxyphenyl)-2,2-dimethyl-3-phenylpropanamide (CID 119419521) is N-(3-amino-4-methoxyphenyl)-2,2-dimethyl-3-phenylpropanamide.
What is the SMILES notation for N-(3-amino-4-methoxyphenyl)-2,2-dimethyl-3-phenylpropanamide?
The canonical SMILES for N-(3-amino-4-methoxyphenyl)-2,2-dimethyl-3-phenylpropanamide is COc1ccc(NC(=O)C(C)(C)Cc2ccccc2)cc1N.
What is the InChIKey of N-(3-amino-4-methoxyphenyl)-2,2-dimethyl-3-phenylpropanamide?
The InChIKey is LCLBIJGXZJYOSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-18(2,12-13-7-5-4-6-8-13)17(21)20-14-9-10-16(22-3)15(19)11-14/h4-11H,12,19H2,1-3H3,(H,20,21).
What are the key properties of N-(3-amino-4-methoxyphenyl)-2,2-dimethyl-3-phenylpropanamide?
N-(3-amino-4-methoxyphenyl)-2,2-dimethyl-3-phenylpropanamide has a molecular weight of 298.39 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methoxyphenyl)-2,2-dimethyl-3-phenylpropanamide is sourced from PubChem (CID 119419521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).