2-(4-aminophenyl)-N-(6-methylheptan-2-yl)acetamide;hydrochloride

C16H27ClN2O — CID 119673337

IUPAC2-(4-aminophenyl)-N-(6-methylheptan-2-yl)acetamide;hydrochloride
SMILESCC(C)CCCC(C)NC(=O)Cc1ccc(N)cc1.Cl
InChIInChI=1S/C16H26N2O.ClH/c1-12(2)5-4-6-13(3)18-16(19)11-14-7-9-15(17)10-8-14;/h7-10,12-13H,4-6,11,17H2,1-3H3,(H,18,19);1H
InChIKeyDFOGWDVTLQHYNR-UHFFFAOYSA-N
MW298.86 g/mol
LogP3.56
Rot. Bonds7

About 2-(4-aminophenyl)-N-(6-methylheptan-2-yl)acetamide;hydrochloride

2-(4-aminophenyl)-N-(6-methylheptan-2-yl)acetamide;hydrochloride (PubChem CID 119673337) has the molecular formula C16H27ClN2O and a molecular weight of 298.86 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-(6-methylheptan-2-yl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-(6-methylheptan-2-yl)acetamide;hydrochloride
PubChem CID119673337
Molecular FormulaC16H27ClN2O
Molecular Weight298.86 g/mol
Exact Mass298.18
IUPAC Name2-(4-aminophenyl)-N-(6-methylheptan-2-yl)acetamide;hydrochloride
SMILESCC(C)CCCC(C)NC(=O)Cc1ccc(N)cc1.Cl
InChIInChI=1S/C16H26N2O.ClH/c1-12(2)5-4-6-13(3)18-16(19)11-14-7-9-15(17)10-8-14;/h7-10,12-13H,4-6,11,17H2,1-3H3,(H,18,19);1H
InChIKeyDFOGWDVTLQHYNR-UHFFFAOYSA-N
XLogP3.56
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.86
LogP ≤ 53.56
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

5-[[2-(4-aminophenyl)acetyl]amino]hexanoic acid
CID 82846901
N-[(2R)-6-methylheptan-2-yl]-2-phenylacetamide
CID 2423706
2-(4-aminophenoxy)-N-(6-methylheptan-2-yl)acetamide
CID 61036016
2-(4-aminophenyl)-N-(5,5-dimethylhexan-2-yl)acetamide
CID 119796536
2-(4-bromophenyl)-N-(5-methylhexan-2-yl)acetamide
CID 112789358
2-(4-aminophenyl)-N-(2-methylpropyl)acetamide
CID 16776382
2-(4-aminophenyl)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide
CID 79248650
2-(4-aminophenyl)-N-but-3-en-2-ylacetamide
CID 115739603
2-(4-aminophenyl)-N-(3-methylpentan-2-yl)acetamide
CID 54950191
4-N-(6-methylheptan-2-yl)benzene-1,4-diamine
CID 61469616
2-(3,5-dichloro-4-hydroxyphenyl)-N-(6-methylheptan-2-yl)acetamide
CID 22932338
2-(4-aminophenyl)-N-[4-(4-fluorophenyl)-4-hydroxybutan-2-yl]acetamide;hydrochloride
CID 119822491

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-(6-methylheptan-2-yl)acetamide;hydrochloride?
The IUPAC name of 2-(4-aminophenyl)-N-(6-methylheptan-2-yl)acetamide;hydrochloride (CID 119673337) is 2-(4-aminophenyl)-N-(6-methylheptan-2-yl)acetamide;hydrochloride.
What is the SMILES notation for 2-(4-aminophenyl)-N-(6-methylheptan-2-yl)acetamide;hydrochloride?
The canonical SMILES for 2-(4-aminophenyl)-N-(6-methylheptan-2-yl)acetamide;hydrochloride is CC(C)CCCC(C)NC(=O)Cc1ccc(N)cc1.Cl.
What is the InChIKey of 2-(4-aminophenyl)-N-(6-methylheptan-2-yl)acetamide;hydrochloride?
The InChIKey is DFOGWDVTLQHYNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O.ClH/c1-12(2)5-4-6-13(3)18-16(19)11-14-7-9-15(17)10-8-14;/h7-10,12-13H,4-6,11,17H2,1-3H3,(H,18,19);1H.
What are the key properties of 2-(4-aminophenyl)-N-(6-methylheptan-2-yl)acetamide;hydrochloride?
2-(4-aminophenyl)-N-(6-methylheptan-2-yl)acetamide;hydrochloride has a molecular weight of 298.86 g/mol, XLogP of 3.56, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-(6-methylheptan-2-yl)acetamide;hydrochloride is sourced from PubChem (CID 119673337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).