2-(4-aminophenyl)-N-methyl-N-[(1S)-2-methyl-1-phenylpropyl]acetamide

C19H24N2O — CID 99703947

IUPAC2-(4-aminophenyl)-N-methyl-N-[(1S)-2-methyl-1-phenylpropyl]acetamide
SMILESCC(C)[C@@H](c1ccccc1)N(C)C(=O)Cc1ccc(N)cc1
InChIInChI=1S/C19H24N2O/c1-14(2)19(16-7-5-4-6-8-16)21(3)18(22)13-15-9-11-17(20)12-10-15/h4-12,14,19H,13,20H2,1-3H3/t19-/m0/s1
InChIKeyKHUGZJGAOBFWCJ-IBGZPJMESA-N
MW296.41 g/mol
LogP3.67
Rot. Bonds5

About 2-(4-aminophenyl)-N-methyl-N-[(1S)-2-methyl-1-phenylpropyl]acetamide

2-(4-aminophenyl)-N-methyl-N-[(1S)-2-methyl-1-phenylpropyl]acetamide (PubChem CID 99703947) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-methyl-N-[(1S)-2-methyl-1-phenylpropyl]acetamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-methyl-N-[(1S)-2-methyl-1-phenylpropyl]acetamide
PubChem CID99703947
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC Name2-(4-aminophenyl)-N-methyl-N-[(1S)-2-methyl-1-phenylpropyl]acetamide
SMILESCC(C)[C@@H](c1ccccc1)N(C)C(=O)Cc1ccc(N)cc1
InChIInChI=1S/C19H24N2O/c1-14(2)19(16-7-5-4-6-8-16)21(3)18(22)13-15-9-11-17(20)12-10-15/h4-12,14,19H,13,20H2,1-3H3/t19-/m0/s1
InChIKeyKHUGZJGAOBFWCJ-IBGZPJMESA-N
XLogP3.67
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-(4-aminophenyl)-N-methyl-N-[(1S)-2-methyl-1-phenylpropyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-N-methyl-N-(2-methyl-1-phenylpropyl)pentanamide;hydrochloride
CID 120562633
2-(4-aminophenyl)-N-[1-(2-chlorophenyl)ethyl]-N-methylacetamide
CID 60939540
2-(4-aminophenyl)-N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide;hydrochloride
CID 10452010
2-(4-hydroxyphenyl)-N-methyl-N-(1-phenylethyl)acetamide
CID 78809223
2-(4-aminophenyl)-N-(1-cyclopropylethyl)-N-methylacetamide
CID 43568614
N-benzhydryl-N-methyl-2-(4-phenylphenyl)acetamide
CID 2103734
N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-2-phenylacetamide
CID 54856748
2-(4-aminophenyl)-N-methyl-N-(4-propan-2-ylphenyl)acetamide;hydrochloride
CID 119807717
2-(4-aminophenyl)-N-butyl-N-(1-phenylpropyl)acetamide
CID 119783780
2-(4-aminophenyl)-N-[2-(dimethylamino)-1-phenylethyl]acetamide;dihydrochloride
CID 119836132
2-(4-aminophenyl)-N-ethyl-N-(2-methylpropyl)acetamide;hydrochloride
CID 119732292
(2S)-3-methyl-2-[methyl-[(2S)-2-[methyl-(2-phenylacetyl)amino]propanoyl]amino]butanamide
CID 70063497

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-methyl-N-[(1S)-2-methyl-1-phenylpropyl]acetamide?
The IUPAC name of 2-(4-aminophenyl)-N-methyl-N-[(1S)-2-methyl-1-phenylpropyl]acetamide (CID 99703947) is 2-(4-aminophenyl)-N-methyl-N-[(1S)-2-methyl-1-phenylpropyl]acetamide.
What is the SMILES notation for 2-(4-aminophenyl)-N-methyl-N-[(1S)-2-methyl-1-phenylpropyl]acetamide?
The canonical SMILES for 2-(4-aminophenyl)-N-methyl-N-[(1S)-2-methyl-1-phenylpropyl]acetamide is CC(C)[C@@H](c1ccccc1)N(C)C(=O)Cc1ccc(N)cc1.
What is the InChIKey of 2-(4-aminophenyl)-N-methyl-N-[(1S)-2-methyl-1-phenylpropyl]acetamide?
The InChIKey is KHUGZJGAOBFWCJ-IBGZPJMESA-N. The full InChI is InChI=1S/C19H24N2O/c1-14(2)19(16-7-5-4-6-8-16)21(3)18(22)13-15-9-11-17(20)12-10-15/h4-12,14,19H,13,20H2,1-3H3/t19-/m0/s1.
What are the key properties of 2-(4-aminophenyl)-N-methyl-N-[(1S)-2-methyl-1-phenylpropyl]acetamide?
2-(4-aminophenyl)-N-methyl-N-[(1S)-2-methyl-1-phenylpropyl]acetamide has a molecular weight of 296.41 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-methyl-N-[(1S)-2-methyl-1-phenylpropyl]acetamide is sourced from PubChem (CID 99703947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).