N-(2-amino-2-phenylethyl)hexanamide

C14H22N2O — CID 55225513

IUPACN-(2-amino-2-phenylethyl)hexanamide
SMILESCCCCCC(=O)NCC(N)c1ccccc1
InChIInChI=1S/C14H22N2O/c1-2-3-5-10-14(17)16-11-13(15)12-8-6-4-7-9-12/h4,6-9,13H,2-3,5,10-11,15H2,1H3,(H,16,17)
InChIKeyYNUQOQOXJZXLTQ-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.38
Rot. Bonds7

About N-(2-amino-2-phenylethyl)hexanamide

N-(2-amino-2-phenylethyl)hexanamide (PubChem CID 55225513) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N-(2-amino-2-phenylethyl)hexanamide.

Molecular Properties

Compound NameN-(2-amino-2-phenylethyl)hexanamide
PubChem CID55225513
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN-(2-amino-2-phenylethyl)hexanamide
SMILESCCCCCC(=O)NCC(N)c1ccccc1
InChIInChI=1S/C14H22N2O/c1-2-3-5-10-14(17)16-11-13(15)12-8-6-4-7-9-12/h4,6-9,13H,2-3,5,10-11,15H2,1H3,(H,16,17)
InChIKeyYNUQOQOXJZXLTQ-UHFFFAOYSA-N
XLogP2.38
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-2-phenylethyl)pentanamide
CID 63120587
N-(3-amino-3-phenylpropyl)octanamide
CID 80506646
N-(2-amino-2-phenylethyl)-5-methoxypentanamide;hydrochloride
CID 119528731
N-[(2S)-2-amino-2-phenylethyl]propanamide
CID 95015221
3-(hexanoylamino)-2-phenylpropanoic acid
CID 62883847
N-(2-amino-2-phenylethyl)-5-(4-methylphenyl)pentanamide
CID 119527817
N-(2-chloro-2-phenylethyl)decanamide
CID 114295700
N-(2-chloro-2-phenylethyl)heptanamide
CID 114753979
N-(2-amino-2-phenylethyl)-N',N'-dimethylpentanediamide;hydrochloride
CID 119527853
N-(2-amino-2-phenylethyl)-4,4-dimethylpentanamide
CID 119529676
N-(2-amino-2-phenylethyl)-2-propylsulfonylacetamide;hydrochloride
CID 119527676
N-(2-amino-2-phenylethyl)-4-(5-methylthiophen-2-yl)butanamide
CID 119529430

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-phenylethyl)hexanamide?
The IUPAC name of N-(2-amino-2-phenylethyl)hexanamide (CID 55225513) is N-(2-amino-2-phenylethyl)hexanamide.
What is the SMILES notation for N-(2-amino-2-phenylethyl)hexanamide?
The canonical SMILES for N-(2-amino-2-phenylethyl)hexanamide is CCCCCC(=O)NCC(N)c1ccccc1.
What is the InChIKey of N-(2-amino-2-phenylethyl)hexanamide?
The InChIKey is YNUQOQOXJZXLTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-2-3-5-10-14(17)16-11-13(15)12-8-6-4-7-9-12/h4,6-9,13H,2-3,5,10-11,15H2,1H3,(H,16,17).
What are the key properties of N-(2-amino-2-phenylethyl)hexanamide?
N-(2-amino-2-phenylethyl)hexanamide has a molecular weight of 234.34 g/mol, XLogP of 2.38, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-phenylethyl)hexanamide is sourced from PubChem (CID 55225513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).