N-(2-amino-2-phenylethyl)-5-(4-methylphenyl)pentanamide

C20H26N2O — CID 119527817

IUPACN-(2-amino-2-phenylethyl)-5-(4-methylphenyl)pentanamide
SMILESCc1ccc(CCCCC(=O)NCC(N)c2ccccc2)cc1
InChIInChI=1S/C20H26N2O/c1-16-11-13-17(14-12-16)7-5-6-10-20(23)22-15-19(21)18-8-3-2-4-9-18/h2-4,8-9,11-14,19H,5-7,10,15,21H2,1H3,(H,22,23)
InChIKeyTZLAPESVPFQLGZ-UHFFFAOYSA-N
MW310.44 g/mol
LogP3.52
Rot. Bonds8

About N-(2-amino-2-phenylethyl)-5-(4-methylphenyl)pentanamide

N-(2-amino-2-phenylethyl)-5-(4-methylphenyl)pentanamide (PubChem CID 119527817) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is N-(2-amino-2-phenylethyl)-5-(4-methylphenyl)pentanamide.

Molecular Properties

Compound NameN-(2-amino-2-phenylethyl)-5-(4-methylphenyl)pentanamide
PubChem CID119527817
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC NameN-(2-amino-2-phenylethyl)-5-(4-methylphenyl)pentanamide
SMILESCc1ccc(CCCCC(=O)NCC(N)c2ccccc2)cc1
InChIInChI=1S/C20H26N2O/c1-16-11-13-17(14-12-16)7-5-6-10-20(23)22-15-19(21)18-8-3-2-4-9-18/h2-4,8-9,11-14,19H,5-7,10,15,21H2,1H3,(H,22,23)
InChIKeyTZLAPESVPFQLGZ-UHFFFAOYSA-N
XLogP3.52
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2-amino-2-phenylethyl)-5-(4-methylphenyl)pentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-amino-2-phenylethyl)hexanamide
CID 55225513
N-(2-amino-2-phenylethyl)pentanamide
CID 63120587
N-(2-amino-2-phenylethyl)-5-methoxypentanamide;hydrochloride
CID 119528731
3-(4-methylphenyl)-N-(2-phenylpropyl)propanamide
CID 133229339
N-(2-amino-2-phenylethyl)-4-(5-methylthiophen-2-yl)butanamide
CID 119529430
N-(2-methylpropyl)-5-phenylpentanamide
CID 110297876
2-methyl-3-[4-(4-methylphenyl)butanoylamino]propanoic acid
CID 119236583
N-(2-amino-2-phenylethyl)-3-[4-(methylsulfamoyl)phenyl]propanamide;hydrochloride
CID 119529188
N-(2-amino-2-phenylethyl)-N',N'-dimethylpentanediamide;hydrochloride
CID 119527853
N-[(2R)-2-(ethylamino)propyl]-5-(4-methylphenyl)pentanamide
CID 120651415
N-(2-amino-2-oxoethyl)-5-(4-methylphenyl)pentanamide
CID 56784821
N-[(2S)-2-amino-2-phenylethyl]propanamide
CID 95015221

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-phenylethyl)-5-(4-methylphenyl)pentanamide?
The IUPAC name of N-(2-amino-2-phenylethyl)-5-(4-methylphenyl)pentanamide (CID 119527817) is N-(2-amino-2-phenylethyl)-5-(4-methylphenyl)pentanamide.
What is the SMILES notation for N-(2-amino-2-phenylethyl)-5-(4-methylphenyl)pentanamide?
The canonical SMILES for N-(2-amino-2-phenylethyl)-5-(4-methylphenyl)pentanamide is Cc1ccc(CCCCC(=O)NCC(N)c2ccccc2)cc1.
What is the InChIKey of N-(2-amino-2-phenylethyl)-5-(4-methylphenyl)pentanamide?
The InChIKey is TZLAPESVPFQLGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O/c1-16-11-13-17(14-12-16)7-5-6-10-20(23)22-15-19(21)18-8-3-2-4-9-18/h2-4,8-9,11-14,19H,5-7,10,15,21H2,1H3,(H,22,23).
What are the key properties of N-(2-amino-2-phenylethyl)-5-(4-methylphenyl)pentanamide?
N-(2-amino-2-phenylethyl)-5-(4-methylphenyl)pentanamide has a molecular weight of 310.44 g/mol, XLogP of 3.52, 8 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)-5-(4-methylphenyl)pentanamide is sourced from PubChem (CID 119527817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).