N-(4-aminobutyl)-2-(2-methylphenyl)acetamide

C13H20N2O — CID 60893782

IUPACN-(4-aminobutyl)-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1CC(=O)NCCCCN
InChIInChI=1S/C13H20N2O/c1-11-6-2-3-7-12(11)10-13(16)15-9-5-4-8-14/h2-3,6-7H,4-5,8-10,14H2,1H3,(H,15,16)
InChIKeyGWGHIKLRCRLSBT-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.39
Rot. Bonds6

About N-(4-aminobutyl)-2-(2-methylphenyl)acetamide

N-(4-aminobutyl)-2-(2-methylphenyl)acetamide (PubChem CID 60893782) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is N-(4-aminobutyl)-2-(2-methylphenyl)acetamide.

Molecular Properties

Compound NameN-(4-aminobutyl)-2-(2-methylphenyl)acetamide
PubChem CID60893782
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC NameN-(4-aminobutyl)-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1CC(=O)NCCCCN
InChIInChI=1S/C13H20N2O/c1-11-6-2-3-7-12(11)10-13(16)15-9-5-4-8-14/h2-3,6-7H,4-5,8-10,14H2,1H3,(H,15,16)
InChIKeyGWGHIKLRCRLSBT-UHFFFAOYSA-N
XLogP1.39
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(4-aminobutyl)-2-(2-methylphenyl)acetamide 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

5-[[2-(2-methylphenyl)acetyl]amino]pentanoic acid
CID 62033790
N-(5-iodopentyl)-2-(2-methylphenyl)acetamide
CID 107322612
N-hex-5-ynyl-2-(2-methylphenyl)acetamide
CID 103758083
2-[2-(4-aminobutylamino)-2-oxoethyl]benzoic acid
CID 113431497
N-(4-aminobutyl)-2-naphthalen-1-ylacetamide
CID 14751500
2-(2-methylphenyl)-N-(3-pyrrol-1-ylpropyl)acetamide
CID 110721082
N-(4-aminobutyl)-2-(4-methylphenyl)acetamide
CID 60895939
N-[2-(ethylamino)ethyl]-2-(2-methylphenyl)acetamide
CID 62658588
N-(2-aminoethyl)-3-(2-methylphenyl)propanamide
CID 62367065
2-(2-methylphenyl)-N-[2-(propylamino)ethyl]acetamide
CID 62658241
N-(4-aminobutyl)-2-(2,6-dimethylphenoxy)acetamide
CID 82335715
N-[3-[5-(4-aminobutylamino)pentylamino]propyl]-2-naphthalen-1-ylacetamide
CID 10000946

Frequently Asked Questions

What is the IUPAC name of N-(4-aminobutyl)-2-(2-methylphenyl)acetamide?
The IUPAC name of N-(4-aminobutyl)-2-(2-methylphenyl)acetamide (CID 60893782) is N-(4-aminobutyl)-2-(2-methylphenyl)acetamide.
What is the SMILES notation for N-(4-aminobutyl)-2-(2-methylphenyl)acetamide?
The canonical SMILES for N-(4-aminobutyl)-2-(2-methylphenyl)acetamide is Cc1ccccc1CC(=O)NCCCCN.
What is the InChIKey of N-(4-aminobutyl)-2-(2-methylphenyl)acetamide?
The InChIKey is GWGHIKLRCRLSBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-11-6-2-3-7-12(11)10-13(16)15-9-5-4-8-14/h2-3,6-7H,4-5,8-10,14H2,1H3,(H,15,16).
What are the key properties of N-(4-aminobutyl)-2-(2-methylphenyl)acetamide?
N-(4-aminobutyl)-2-(2-methylphenyl)acetamide has a molecular weight of 220.32 g/mol, XLogP of 1.39, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminobutyl)-2-(2-methylphenyl)acetamide is sourced from PubChem (CID 60893782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).