N-[2-(2-aminoethoxy)ethyl]-4-(4-methylphenyl)butanamide

C15H24N2O2 — CID 82354281

IUPACN-[2-(2-aminoethoxy)ethyl]-4-(4-methylphenyl)butanamide
SMILESCc1ccc(CCCC(=O)NCCOCCN)cc1
InChIInChI=1S/C15H24N2O2/c1-13-5-7-14(8-6-13)3-2-4-15(18)17-10-12-19-11-9-16/h5-8H,2-4,9-12,16H2,1H3,(H,17,18)
InChIKeyHEWAINLCUNGOKD-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.41
Rot. Bonds9

About N-[2-(2-aminoethoxy)ethyl]-4-(4-methylphenyl)butanamide

N-[2-(2-aminoethoxy)ethyl]-4-(4-methylphenyl)butanamide (PubChem CID 82354281) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is N-[2-(2-aminoethoxy)ethyl]-4-(4-methylphenyl)butanamide.

Molecular Properties

Compound NameN-[2-(2-aminoethoxy)ethyl]-4-(4-methylphenyl)butanamide
PubChem CID82354281
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC NameN-[2-(2-aminoethoxy)ethyl]-4-(4-methylphenyl)butanamide
SMILESCc1ccc(CCCC(=O)NCCOCCN)cc1
InChIInChI=1S/C15H24N2O2/c1-13-5-7-14(8-6-13)3-2-4-15(18)17-10-12-19-11-9-16/h5-8H,2-4,9-12,16H2,1H3,(H,17,18)
InChIKeyHEWAINLCUNGOKD-UHFFFAOYSA-N
XLogP1.41
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-(2-aminoethoxy)ethyl]-4-(4-methylphenyl)butanamide 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-[2-[2-[2-[2-[2-[2-[2-(4-amino-3-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-(4-methylphenyl)butanamide
CID 177194400
N-[2-[2-[2-[[(5S)-5-(methylamino)-6-oxoheptyl]amino]-2-oxoethoxy]ethoxy]ethyl]-4-(4-methylphenyl)butanamide
CID 163386284
N-(2-methoxyethyl)-3-(4-methylphenyl)propanamide
CID 19220427
N-[2-[2-(diethylamino)ethoxy]ethyl]-3-(4-methylphenyl)propanamide
CID 110618477
2-(2-aminoethoxy)-N-[(4-methylphenyl)methyl]acetamide
CID 79464439
N-[2-(2-aminoethoxy)ethyl]-2-(2,5-dimethylphenyl)acetamide
CID 63756094
N-[2-(2-chloroethoxy)ethyl]-4-phenylbutanamide
CID 113271747
3-(2-aminoethoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 112738957
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-methylbenzamide;ethane
CID 143583879
6-amino-N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]hexanamide
CID 178049768
(E)-N-[2-(2-aminoethoxy)ethyl]-3-(4-methylphenyl)prop-2-enamide
CID 82354263
N-(3-amino-5-sulfanylpentyl)-4-(4-methylphenyl)butanamide
CID 168749214

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-aminoethoxy)ethyl]-4-(4-methylphenyl)butanamide?
The IUPAC name of N-[2-(2-aminoethoxy)ethyl]-4-(4-methylphenyl)butanamide (CID 82354281) is N-[2-(2-aminoethoxy)ethyl]-4-(4-methylphenyl)butanamide.
What is the SMILES notation for N-[2-(2-aminoethoxy)ethyl]-4-(4-methylphenyl)butanamide?
The canonical SMILES for N-[2-(2-aminoethoxy)ethyl]-4-(4-methylphenyl)butanamide is Cc1ccc(CCCC(=O)NCCOCCN)cc1.
What is the InChIKey of N-[2-(2-aminoethoxy)ethyl]-4-(4-methylphenyl)butanamide?
The InChIKey is HEWAINLCUNGOKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-13-5-7-14(8-6-13)3-2-4-15(18)17-10-12-19-11-9-16/h5-8H,2-4,9-12,16H2,1H3,(H,17,18).
What are the key properties of N-[2-(2-aminoethoxy)ethyl]-4-(4-methylphenyl)butanamide?
N-[2-(2-aminoethoxy)ethyl]-4-(4-methylphenyl)butanamide has a molecular weight of 264.37 g/mol, XLogP of 1.41, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminoethoxy)ethyl]-4-(4-methylphenyl)butanamide is sourced from PubChem (CID 82354281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).