3-[5-(2-aminobutyl)-2-methoxyphenoxy]propanamide

C14H22N2O3 — CID 60907156

IUPAC3-[5-(2-aminobutyl)-2-methoxyphenoxy]propanamide
SMILESCCC(N)Cc1ccc(OC)c(OCCC(N)=O)c1
InChIInChI=1S/C14H22N2O3/c1-3-11(15)8-10-4-5-12(18-2)13(9-10)19-7-6-14(16)17/h4-5,9,11H,3,6-8,15H2,1-2H3,(H2,16,17)
InChIKeyDHFDJYHKIPPBNB-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.23
Rot. Bonds8

About 3-[5-(2-aminobutyl)-2-methoxyphenoxy]propanamide

3-[5-(2-aminobutyl)-2-methoxyphenoxy]propanamide (PubChem CID 60907156) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 3-[5-(2-aminobutyl)-2-methoxyphenoxy]propanamide.

Molecular Properties

Compound Name3-[5-(2-aminobutyl)-2-methoxyphenoxy]propanamide
PubChem CID60907156
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name3-[5-(2-aminobutyl)-2-methoxyphenoxy]propanamide
SMILESCCC(N)Cc1ccc(OC)c(OCCC(N)=O)c1
InChIInChI=1S/C14H22N2O3/c1-3-11(15)8-10-4-5-12(18-2)13(9-10)19-7-6-14(16)17/h4-5,9,11H,3,6-8,15H2,1-2H3,(H2,16,17)
InChIKeyDHFDJYHKIPPBNB-UHFFFAOYSA-N
XLogP1.23
TPSA87.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[5-(2-aminobutyl)-2-methoxyphenoxy]propanamide 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

3-[4-(2-aminopropyl)-2-methoxyphenoxy]propanamide
CID 60906561
1-[4-methoxy-3-(2-propoxyethoxy)phenyl]butan-2-amine
CID 106455598
(2R)-1-[4-methoxy-3-(2-phenylethoxy)phenyl]butan-2-amine
CID 100949044
1-(4-butoxy-3-methoxyphenyl)butan-2-amine
CID 54929034
1-[3-(2-bromoprop-2-enoxy)-4-methoxyphenyl]butan-2-amine
CID 54929465
methyl 3-[4-(2-aminobutyl)-2-fluorophenoxy]propanoate
CID 107693330
1-[4-(3-fluoropropoxy)-3-methoxyphenyl]butan-2-amine
CID 81114497
3-[2-methoxy-5-[(2-methoxyethylamino)methyl]phenoxy]propanamide
CID 63057144
ethyl 2-[4-(2-aminobutyl)-2-methoxyphenoxy]acetate
CID 60906795
3-[2-(2-aminobutyl)phenoxy]propanamide
CID 60907585
1-[3-methoxy-4-(2-propoxyethoxy)phenyl]butan-2-amine
CID 106455589
3-[4-(2-aminobutyl)-2,6-dimethylphenoxy]propanamide
CID 60907081

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-aminobutyl)-2-methoxyphenoxy]propanamide?
The IUPAC name of 3-[5-(2-aminobutyl)-2-methoxyphenoxy]propanamide (CID 60907156) is 3-[5-(2-aminobutyl)-2-methoxyphenoxy]propanamide.
What is the SMILES notation for 3-[5-(2-aminobutyl)-2-methoxyphenoxy]propanamide?
The canonical SMILES for 3-[5-(2-aminobutyl)-2-methoxyphenoxy]propanamide is CCC(N)Cc1ccc(OC)c(OCCC(N)=O)c1.
What is the InChIKey of 3-[5-(2-aminobutyl)-2-methoxyphenoxy]propanamide?
The InChIKey is DHFDJYHKIPPBNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-3-11(15)8-10-4-5-12(18-2)13(9-10)19-7-6-14(16)17/h4-5,9,11H,3,6-8,15H2,1-2H3,(H2,16,17).
What are the key properties of 3-[5-(2-aminobutyl)-2-methoxyphenoxy]propanamide?
3-[5-(2-aminobutyl)-2-methoxyphenoxy]propanamide has a molecular weight of 266.34 g/mol, XLogP of 1.23, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-aminobutyl)-2-methoxyphenoxy]propanamide is sourced from PubChem (CID 60907156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).