2-(4-aminophenyl)-N-methyl-N-(4-propan-2-ylphenyl)acetamide;hydrochloride

C18H23ClN2O — CID 119807717

IUPAC2-(4-aminophenyl)-N-methyl-N-(4-propan-2-ylphenyl)acetamide;hydrochloride
SMILESCC(C)c1ccc(N(C)C(=O)Cc2ccc(N)cc2)cc1.Cl
InChIInChI=1S/C18H22N2O.ClH/c1-13(2)15-6-10-17(11-7-15)20(3)18(21)12-14-4-8-16(19)9-5-14;/h4-11,13H,12,19H2,1-3H3;1H
InChIKeyUBNXOJWSQLMMLN-UHFFFAOYSA-N
MW318.85 g/mol
LogP4.02
Rot. Bonds4

About 2-(4-aminophenyl)-N-methyl-N-(4-propan-2-ylphenyl)acetamide;hydrochloride

2-(4-aminophenyl)-N-methyl-N-(4-propan-2-ylphenyl)acetamide;hydrochloride (PubChem CID 119807717) has the molecular formula C18H23ClN2O and a molecular weight of 318.85 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-methyl-N-(4-propan-2-ylphenyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-methyl-N-(4-propan-2-ylphenyl)acetamide;hydrochloride
PubChem CID119807717
Molecular FormulaC18H23ClN2O
Molecular Weight318.85 g/mol
Exact Mass318.15
IUPAC Name2-(4-aminophenyl)-N-methyl-N-(4-propan-2-ylphenyl)acetamide;hydrochloride
SMILESCC(C)c1ccc(N(C)C(=O)Cc2ccc(N)cc2)cc1.Cl
InChIInChI=1S/C18H22N2O.ClH/c1-13(2)15-6-10-17(11-7-15)20(3)18(21)12-14-4-8-16(19)9-5-14;/h4-11,13H,12,19H2,1-3H3;1H
InChIKeyUBNXOJWSQLMMLN-UHFFFAOYSA-N
XLogP4.02
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.85
LogP ≤ 54.02
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'}

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Related Compounds

4-amino-N-methyl-N-(4-propan-2-ylphenyl)benzamide
CID 82092609
N-methyl-N-(4-propan-2-ylphenyl)-2-sulfanylacetamide
CID 115166992
N-(4-aminophenyl)-2-(3-hydroxyphenyl)-N-methylacetamide
CID 61399690
2-[4-(aminomethyl)phenyl]-N-methyl-N-(4-methylphenyl)acetamide
CID 63590516
N-[4-(aminomethyl)phenyl]-N-methyl-2-phenylacetamide
CID 28755638
7-amino-N-methyl-N-(4-propan-2-ylphenyl)heptanamide
CID 119807713
2-(4-aminophenyl)-N-methyl-N-(3,4,5-trimethoxyphenyl)acetamide
CID 119801988
2-(4-aminophenyl)-N-[2-(dimethylamino)ethyl]-N-methylacetamide
CID 18508359
N-(4-aminophenyl)-N-methyl-2-propan-2-ylsulfinylacetamide
CID 61289454
2-(ethylamino)-N-methyl-N-(4-propan-2-ylphenyl)acetamide
CID 115157740
2-[methyl-(4-propan-2-ylphenyl)carbamoyl]butanoic acid
CID 115185890
N,N-bis(3-aminopropyl)-2-(4-propan-2-ylphenyl)acetamide
CID 122692683

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-methyl-N-(4-propan-2-ylphenyl)acetamide;hydrochloride?
The IUPAC name of 2-(4-aminophenyl)-N-methyl-N-(4-propan-2-ylphenyl)acetamide;hydrochloride (CID 119807717) is 2-(4-aminophenyl)-N-methyl-N-(4-propan-2-ylphenyl)acetamide;hydrochloride.
What is the SMILES notation for 2-(4-aminophenyl)-N-methyl-N-(4-propan-2-ylphenyl)acetamide;hydrochloride?
The canonical SMILES for 2-(4-aminophenyl)-N-methyl-N-(4-propan-2-ylphenyl)acetamide;hydrochloride is CC(C)c1ccc(N(C)C(=O)Cc2ccc(N)cc2)cc1.Cl.
What is the InChIKey of 2-(4-aminophenyl)-N-methyl-N-(4-propan-2-ylphenyl)acetamide;hydrochloride?
The InChIKey is UBNXOJWSQLMMLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O.ClH/c1-13(2)15-6-10-17(11-7-15)20(3)18(21)12-14-4-8-16(19)9-5-14;/h4-11,13H,12,19H2,1-3H3;1H.
What are the key properties of 2-(4-aminophenyl)-N-methyl-N-(4-propan-2-ylphenyl)acetamide;hydrochloride?
2-(4-aminophenyl)-N-methyl-N-(4-propan-2-ylphenyl)acetamide;hydrochloride has a molecular weight of 318.85 g/mol, XLogP of 4.02, 4 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-(4-propan-2-ylphenyl)acetamide;hydrochloride is sourced from PubChem (CID 119807717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).