2-(4-aminophenyl)-N-(2-propylhexyl)acetamide;hydrochloride

C17H29ClN2O — CID 119811875

IUPAC2-(4-aminophenyl)-N-(2-propylhexyl)acetamide;hydrochloride
SMILESCCCCC(CCC)CNC(=O)Cc1ccc(N)cc1.Cl
InChIInChI=1S/C17H28N2O.ClH/c1-3-5-7-15(6-4-2)13-19-17(20)12-14-8-10-16(18)11-9-14;/h8-11,15H,3-7,12-13,18H2,1-2H3,(H,19,20);1H
InChIKeyZYWALXACOSNXCW-UHFFFAOYSA-N
MW312.88 g/mol
LogP3.96
Rot. Bonds9

About 2-(4-aminophenyl)-N-(2-propylhexyl)acetamide;hydrochloride

2-(4-aminophenyl)-N-(2-propylhexyl)acetamide;hydrochloride (PubChem CID 119811875) has the molecular formula C17H29ClN2O and a molecular weight of 312.88 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-(2-propylhexyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-(2-propylhexyl)acetamide;hydrochloride
PubChem CID119811875
Molecular FormulaC17H29ClN2O
Molecular Weight312.88 g/mol
Exact Mass312.20
IUPAC Name2-(4-aminophenyl)-N-(2-propylhexyl)acetamide;hydrochloride
SMILESCCCCC(CCC)CNC(=O)Cc1ccc(N)cc1.Cl
InChIInChI=1S/C17H28N2O.ClH/c1-3-5-7-15(6-4-2)13-19-17(20)12-14-8-10-16(18)11-9-14;/h8-11,15H,3-7,12-13,18H2,1-2H3,(H,19,20);1H
InChIKeyZYWALXACOSNXCW-UHFFFAOYSA-N
XLogP3.96
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.88
LogP ≤ 53.96
H-Bond Donors ≤ 52
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-(4-aminophenyl)-N-(2-ethylbutyl)acetamide
CID 113266165
2-(4-aminophenyl)-N-(2-methylpropyl)acetamide
CID 16776382
2-(4-aminophenyl)-N-heptylacetamide
CID 54795787
2-(5-amino-2-pyridinyl)-N-(2-ethylhexyl)acetamide
CID 107338276
N-[(2R)-2-ethylhexyl]-2-(4-nitrophenyl)acetamide
CID 40579389
(2S)-2-[[2-(4-aminophenyl)acetyl]amino]hexanoic acid
CID 107146910
2-(4-aminophenyl)-N-(2,3-dimethylbutyl)acetamide
CID 64569589
5-[[2-(4-aminophenyl)acetyl]amino]-4-methylpentanoic acid
CID 82687958
2-(4-aminophenyl)-N-[2-[cyclopropyl(methyl)amino]propyl]acetamide
CID 103814364
3-(4-aminophenoxy)-N-[2-(2-hydroxyethyl)pentyl]propanamide
CID 106113357
2-(4-butylphenyl)-N-(2-methylpropyl)acetamide
CID 60656279
N-[2-(2-bromoethyl)pentyl]-2-(3,4-difluorophenyl)acetamide
CID 106117964

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-(2-propylhexyl)acetamide;hydrochloride?
The IUPAC name of 2-(4-aminophenyl)-N-(2-propylhexyl)acetamide;hydrochloride (CID 119811875) is 2-(4-aminophenyl)-N-(2-propylhexyl)acetamide;hydrochloride.
What is the SMILES notation for 2-(4-aminophenyl)-N-(2-propylhexyl)acetamide;hydrochloride?
The canonical SMILES for 2-(4-aminophenyl)-N-(2-propylhexyl)acetamide;hydrochloride is CCCCC(CCC)CNC(=O)Cc1ccc(N)cc1.Cl.
What is the InChIKey of 2-(4-aminophenyl)-N-(2-propylhexyl)acetamide;hydrochloride?
The InChIKey is ZYWALXACOSNXCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O.ClH/c1-3-5-7-15(6-4-2)13-19-17(20)12-14-8-10-16(18)11-9-14;/h8-11,15H,3-7,12-13,18H2,1-2H3,(H,19,20);1H.
What are the key properties of 2-(4-aminophenyl)-N-(2-propylhexyl)acetamide;hydrochloride?
2-(4-aminophenyl)-N-(2-propylhexyl)acetamide;hydrochloride has a molecular weight of 312.88 g/mol, XLogP of 3.96, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-(2-propylhexyl)acetamide;hydrochloride is sourced from PubChem (CID 119811875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).