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

C13H20N2O — CID 60895939

IUPACN-(4-aminobutyl)-2-(4-methylphenyl)acetamide
SMILESCc1ccc(CC(=O)NCCCCN)cc1
InChIInChI=1S/C13H20N2O/c1-11-4-6-12(7-5-11)10-13(16)15-9-3-2-8-14/h4-7H,2-3,8-10,14H2,1H3,(H,15,16)
InChIKeyMDILTGAMQZBPAK-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.39
Rot. Bonds6

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

N-(4-aminobutyl)-2-(4-methylphenyl)acetamide (PubChem CID 60895939) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is N-(4-aminobutyl)-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound NameN-(4-aminobutyl)-2-(4-methylphenyl)acetamide
PubChem CID60895939
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC NameN-(4-aminobutyl)-2-(4-methylphenyl)acetamide
SMILESCc1ccc(CC(=O)NCCCCN)cc1
InChIInChI=1S/C13H20N2O/c1-11-4-6-12(7-5-11)10-13(16)15-9-3-2-8-14/h4-7H,2-3,8-10,14H2,1H3,(H,15,16)
InChIKeyMDILTGAMQZBPAK-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'}

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Related Compounds

N-(5-chloropentyl)-2-(4-methylphenyl)acetamide
CID 107320841
2-(4-acetamidophenyl)-N-(6-aminohexyl)acetamide
CID 108792623
N-(5-amino-4-methylpentyl)-2-(4-methylphenyl)acetamide
CID 114150778
N-[3-(4-chlorophenyl)propyl]-2-(4-methylphenyl)acetamide
CID 38019898
N-[3-(dimethylamino)propyl]-2-(4-methylphenyl)acetamide
CID 4080384
N-(3-aminopropyl)-2-(4-chlorophenyl)acetamide;hydrochloride
CID 119408603
N-(4-aminobutyl)-2-(2-methylphenyl)acetamide
CID 60893782
2-(4-acetamidophenyl)-N-(3-aminopropyl)acetamide
CID 108792677
2-[4-(1-aminoethyl)phenyl]-N-(3-aminopropyl)acetamide
CID 123947658
N-[3-(4-fluorophenyl)propyl]-2-(4-methylphenyl)acetamide
CID 92684324
2-(4-fluorophenyl)-N-[3-(4-methylphenyl)propyl]acetamide
CID 100706292
N-[[4-(3-aminopropylcarbamoyl)phenyl]methyl]-4-methylbenzamide
CID 82097442

Frequently Asked Questions

What is the IUPAC name of N-(4-aminobutyl)-2-(4-methylphenyl)acetamide?
The IUPAC name of N-(4-aminobutyl)-2-(4-methylphenyl)acetamide (CID 60895939) is N-(4-aminobutyl)-2-(4-methylphenyl)acetamide.
What is the SMILES notation for N-(4-aminobutyl)-2-(4-methylphenyl)acetamide?
The canonical SMILES for N-(4-aminobutyl)-2-(4-methylphenyl)acetamide is Cc1ccc(CC(=O)NCCCCN)cc1.
What is the InChIKey of N-(4-aminobutyl)-2-(4-methylphenyl)acetamide?
The InChIKey is MDILTGAMQZBPAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-11-4-6-12(7-5-11)10-13(16)15-9-3-2-8-14/h4-7H,2-3,8-10,14H2,1H3,(H,15,16).
What are the key properties of N-(4-aminobutyl)-2-(4-methylphenyl)acetamide?
N-(4-aminobutyl)-2-(4-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-(4-methylphenyl)acetamide is sourced from PubChem (CID 60895939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).