N-[2-(4-aminophenyl)ethyl]-2,2,4-trimethylpentanamide;hydrochloride

C16H27ClN2O — CID 119548327

IUPACN-[2-(4-aminophenyl)ethyl]-2,2,4-trimethylpentanamide;hydrochloride
SMILESCC(C)CC(C)(C)C(=O)NCCc1ccc(N)cc1.Cl
InChIInChI=1S/C16H26N2O.ClH/c1-12(2)11-16(3,4)15(19)18-10-9-13-5-7-14(17)8-6-13;/h5-8,12H,9-11,17H2,1-4H3,(H,18,19);1H
InChIKeyKDFLEHIFJBDBRZ-UHFFFAOYSA-N
MW298.86 g/mol
LogP3.42
Rot. Bonds6

About N-[2-(4-aminophenyl)ethyl]-2,2,4-trimethylpentanamide;hydrochloride

N-[2-(4-aminophenyl)ethyl]-2,2,4-trimethylpentanamide;hydrochloride (PubChem CID 119548327) has the molecular formula C16H27ClN2O and a molecular weight of 298.86 g/mol. Its IUPAC name is N-[2-(4-aminophenyl)ethyl]-2,2,4-trimethylpentanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(4-aminophenyl)ethyl]-2,2,4-trimethylpentanamide;hydrochloride
PubChem CID119548327
Molecular FormulaC16H27ClN2O
Molecular Weight298.86 g/mol
Exact Mass298.18
IUPAC NameN-[2-(4-aminophenyl)ethyl]-2,2,4-trimethylpentanamide;hydrochloride
SMILESCC(C)CC(C)(C)C(=O)NCCc1ccc(N)cc1.Cl
InChIInChI=1S/C16H26N2O.ClH/c1-12(2)11-16(3,4)15(19)18-10-9-13-5-7-14(17)8-6-13;/h5-8,12H,9-11,17H2,1-4H3,(H,18,19);1H
InChIKeyKDFLEHIFJBDBRZ-UHFFFAOYSA-N
XLogP3.42
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.86
LogP ≤ 53.42
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

N-[2-(4-aminophenyl)ethyl]-2,2-dimethylpropanamide;hydrochloride
CID 119549524
N-[2-(4-aminophenyl)ethyl]-2,2,2-trifluoroacetamide;hydrochloride
CID 22906098
N-[2-(4-aminophenyl)ethyl]-2-methylbutanamide;hydrochloride
CID 119547405
N-[2-(4-aminophenyl)ethyl]-3-(3-chlorophenyl)-2,2-dimethylpropanamide;hydrochloride
CID 119547992
N-[2-(4-aminophenyl)ethyl]-2-(4-bromophenyl)-2-methylpropanamide;hydrochloride
CID 119549666
3-amino-2,2-dimethyl-N-[2-(4-methylphenyl)ethyl]propanamide
CID 115154707
2-(4-aminophenyl)-N-(2,2,4-trimethylpentyl)acetamide;hydrochloride
CID 119820240
N-[2-(4-aminophenyl)ethyl]-2-methylpentanamide
CID 61218501
N-[2-(4-aminophenyl)ethyl]-2-oxopropanamide
CID 110478416
N-[2-(4-fluorophenyl)ethyl]-2,2-dimethylbutanamide
CID 132962553
CID 23389090
CID 23389090
N-[2-(4-aminophenyl)ethyl]-2-[4-(2-methylpropoxy)phenyl]acetamide;hydrochloride
CID 119548271

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminophenyl)ethyl]-2,2,4-trimethylpentanamide;hydrochloride?
The IUPAC name of N-[2-(4-aminophenyl)ethyl]-2,2,4-trimethylpentanamide;hydrochloride (CID 119548327) is N-[2-(4-aminophenyl)ethyl]-2,2,4-trimethylpentanamide;hydrochloride.
What is the SMILES notation for N-[2-(4-aminophenyl)ethyl]-2,2,4-trimethylpentanamide;hydrochloride?
The canonical SMILES for N-[2-(4-aminophenyl)ethyl]-2,2,4-trimethylpentanamide;hydrochloride is CC(C)CC(C)(C)C(=O)NCCc1ccc(N)cc1.Cl.
What is the InChIKey of N-[2-(4-aminophenyl)ethyl]-2,2,4-trimethylpentanamide;hydrochloride?
The InChIKey is KDFLEHIFJBDBRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O.ClH/c1-12(2)11-16(3,4)15(19)18-10-9-13-5-7-14(17)8-6-13;/h5-8,12H,9-11,17H2,1-4H3,(H,18,19);1H.
What are the key properties of N-[2-(4-aminophenyl)ethyl]-2,2,4-trimethylpentanamide;hydrochloride?
N-[2-(4-aminophenyl)ethyl]-2,2,4-trimethylpentanamide;hydrochloride has a molecular weight of 298.86 g/mol, XLogP of 3.42, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminophenyl)ethyl]-2,2,4-trimethylpentanamide;hydrochloride is sourced from PubChem (CID 119548327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).