2-(4-aminophenyl)-N-ethyl-N-(2-methylpropyl)acetamide;hydrochloride

C14H23ClN2O — CID 119732292

IUPAC2-(4-aminophenyl)-N-ethyl-N-(2-methylpropyl)acetamide;hydrochloride
SMILESCCN(CC(C)C)C(=O)Cc1ccc(N)cc1.Cl
InChIInChI=1S/C14H22N2O.ClH/c1-4-16(10-11(2)3)14(17)9-12-5-7-13(15)8-6-12;/h5-8,11H,4,9-10,15H2,1-3H3;1H
InChIKeyIZSYQGFWDTZJOT-UHFFFAOYSA-N
MW270.80 g/mol
LogP2.74
Rot. Bonds5

About 2-(4-aminophenyl)-N-ethyl-N-(2-methylpropyl)acetamide;hydrochloride

2-(4-aminophenyl)-N-ethyl-N-(2-methylpropyl)acetamide;hydrochloride (PubChem CID 119732292) has the molecular formula C14H23ClN2O and a molecular weight of 270.80 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-ethyl-N-(2-methylpropyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-ethyl-N-(2-methylpropyl)acetamide;hydrochloride
PubChem CID119732292
Molecular FormulaC14H23ClN2O
Molecular Weight270.80 g/mol
Exact Mass270.15
IUPAC Name2-(4-aminophenyl)-N-ethyl-N-(2-methylpropyl)acetamide;hydrochloride
SMILESCCN(CC(C)C)C(=O)Cc1ccc(N)cc1.Cl
InChIInChI=1S/C14H22N2O.ClH/c1-4-16(10-11(2)3)14(17)9-12-5-7-13(15)8-6-12;/h5-8,11H,4,9-10,15H2,1-3H3;1H
InChIKeyIZSYQGFWDTZJOT-UHFFFAOYSA-N
XLogP2.74
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.80
LogP ≤ 52.74
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

2-[[2-(4-aminophenyl)acetyl]-(2-methylpropyl)amino]acetic acid
CID 63066283
2-(4-aminophenyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)acetamide
CID 54906294
4-amino-N-ethyl-N-(2-methylpropyl)benzamide;hydrochloride
CID 119732301
N-ethyl-2-(3-hydroxyphenyl)-N-(2-methylpropyl)acetamide
CID 61399862
2-(4-aminophenyl)-N-ethyl-N-(1-ethylsulfonylpropan-2-yl)acetamide
CID 119786192
2-(4-aminophenyl)-N,N-dibutylacetamide
CID 28982323
2-(4-aminophenyl)-N-ethyl-N-[1-(4-fluorophenyl)ethyl]acetamide;hydrochloride
CID 119737208
2-(4-aminophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-propylacetamide;hydrochloride
CID 119744178
2-(4-aminophenyl)-N-[(5-bromothiophen-2-yl)methyl]-N-ethylacetamide
CID 60937469
2-(4-aminophenyl)-N-[(3-chlorophenyl)methyl]-N-ethylacetamide
CID 60940145
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-ethyl-2-phenylacetamide
CID 54987956
4-[2-(4-aminophenyl)acetyl]-N,N-diethylpiperazine-1-carboxamide;hydrochloride
CID 119718562

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-ethyl-N-(2-methylpropyl)acetamide;hydrochloride?
The IUPAC name of 2-(4-aminophenyl)-N-ethyl-N-(2-methylpropyl)acetamide;hydrochloride (CID 119732292) is 2-(4-aminophenyl)-N-ethyl-N-(2-methylpropyl)acetamide;hydrochloride.
What is the SMILES notation for 2-(4-aminophenyl)-N-ethyl-N-(2-methylpropyl)acetamide;hydrochloride?
The canonical SMILES for 2-(4-aminophenyl)-N-ethyl-N-(2-methylpropyl)acetamide;hydrochloride is CCN(CC(C)C)C(=O)Cc1ccc(N)cc1.Cl.
What is the InChIKey of 2-(4-aminophenyl)-N-ethyl-N-(2-methylpropyl)acetamide;hydrochloride?
The InChIKey is IZSYQGFWDTZJOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O.ClH/c1-4-16(10-11(2)3)14(17)9-12-5-7-13(15)8-6-12;/h5-8,11H,4,9-10,15H2,1-3H3;1H.
What are the key properties of 2-(4-aminophenyl)-N-ethyl-N-(2-methylpropyl)acetamide;hydrochloride?
2-(4-aminophenyl)-N-ethyl-N-(2-methylpropyl)acetamide;hydrochloride has a molecular weight of 270.80 g/mol, XLogP of 2.74, 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-ethyl-N-(2-methylpropyl)acetamide;hydrochloride is sourced from PubChem (CID 119732292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).