N-(2-aminoethyl)-3-(2-methoxyphenyl)butanamide

C13H20N2O2 — CID 119382744

IUPACN-(2-aminoethyl)-3-(2-methoxyphenyl)butanamide
SMILESCOc1ccccc1C(C)CC(=O)NCCN
InChIInChI=1S/C13H20N2O2/c1-10(9-13(16)15-8-7-14)11-5-3-4-6-12(11)17-2/h3-6,10H,7-9,14H2,1-2H3,(H,15,16)
InChIKeyJKASYMFWZCEDEI-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.26
Rot. Bonds6

About N-(2-aminoethyl)-3-(2-methoxyphenyl)butanamide

N-(2-aminoethyl)-3-(2-methoxyphenyl)butanamide (PubChem CID 119382744) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is N-(2-aminoethyl)-3-(2-methoxyphenyl)butanamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-3-(2-methoxyphenyl)butanamide
PubChem CID119382744
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC NameN-(2-aminoethyl)-3-(2-methoxyphenyl)butanamide
SMILESCOc1ccccc1C(C)CC(=O)NCCN
InChIInChI=1S/C13H20N2O2/c1-10(9-13(16)15-8-7-14)11-5-3-4-6-12(11)17-2/h3-6,10H,7-9,14H2,1-2H3,(H,15,16)
InChIKeyJKASYMFWZCEDEI-UHFFFAOYSA-N
XLogP1.26
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(2-aminoethyl)-3-(2-methoxyphenyl)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-(3-aminobutyl)-3-(2-methoxyphenyl)butanamide;hydrochloride
CID 119495811
N-[2-(4-aminophenyl)ethyl]-3-(2-methoxyphenyl)butanamide;hydrochloride
CID 119547903
N-[2-(cycloheptylamino)ethyl]-3-(2-methoxyphenyl)butanamide
CID 119619663
N-(2-aminoethyl)-2-(2-butan-2-ylphenoxy)acetamide
CID 61207891
3-(2-methoxyphenyl)-N-(2-piperazin-1-ylethyl)butanamide
CID 119445732
(2S)-2-[[2-[3-(2-methoxyphenyl)butanoylamino]acetyl]amino]-4-methylpentanoic acid
CID 120695779
(3S)-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]oxy-3-(2-methoxyphenyl)butanamide
CID 125420173
3-(2-methoxyphenyl)-N-(2-piperidin-3-ylethyl)butanamide
CID 119555918
N-(2-cyclobutyl-2-hydroxyethyl)-3-(2-methoxyphenyl)butanamide
CID 122152186
N-(2-aminoethyl)-2-(2-methoxyanilino)acetamide;dihydrochloride
CID 119382686
(2R)-2-[3-(2-methoxyphenyl)butanoylamino]-2-phenylacetic acid
CID 119367831
5-[[3-(2-methoxyphenyl)butanoylamino]methyl]furan-2-carboxylic acid
CID 119245970

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-3-(2-methoxyphenyl)butanamide?
The IUPAC name of N-(2-aminoethyl)-3-(2-methoxyphenyl)butanamide (CID 119382744) is N-(2-aminoethyl)-3-(2-methoxyphenyl)butanamide.
What is the SMILES notation for N-(2-aminoethyl)-3-(2-methoxyphenyl)butanamide?
The canonical SMILES for N-(2-aminoethyl)-3-(2-methoxyphenyl)butanamide is COc1ccccc1C(C)CC(=O)NCCN.
What is the InChIKey of N-(2-aminoethyl)-3-(2-methoxyphenyl)butanamide?
The InChIKey is JKASYMFWZCEDEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-10(9-13(16)15-8-7-14)11-5-3-4-6-12(11)17-2/h3-6,10H,7-9,14H2,1-2H3,(H,15,16).
What are the key properties of N-(2-aminoethyl)-3-(2-methoxyphenyl)butanamide?
N-(2-aminoethyl)-3-(2-methoxyphenyl)butanamide has a molecular weight of 236.31 g/mol, XLogP of 1.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-3-(2-methoxyphenyl)butanamide is sourced from PubChem (CID 119382744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).