2-[2-(2-aminoethyl)-6-methoxyphenoxy]-N-butylpropanamide

C16H26N2O3 — CID 60904970

IUPAC2-[2-(2-aminoethyl)-6-methoxyphenoxy]-N-butylpropanamide
SMILESCCCCNC(=O)C(C)Oc1c(CCN)cccc1OC
InChIInChI=1S/C16H26N2O3/c1-4-5-11-18-16(19)12(2)21-15-13(9-10-17)7-6-8-14(15)20-3/h6-8,12H,4-5,9-11,17H2,1-3H3,(H,18,19)
InChIKeyFSITVLSIQQDUTJ-UHFFFAOYSA-N
MW294.39 g/mol
LogP1.88
Rot. Bonds9

About 2-[2-(2-aminoethyl)-6-methoxyphenoxy]-N-butylpropanamide

2-[2-(2-aminoethyl)-6-methoxyphenoxy]-N-butylpropanamide (PubChem CID 60904970) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is 2-[2-(2-aminoethyl)-6-methoxyphenoxy]-N-butylpropanamide.

Molecular Properties

Compound Name2-[2-(2-aminoethyl)-6-methoxyphenoxy]-N-butylpropanamide
PubChem CID60904970
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Name2-[2-(2-aminoethyl)-6-methoxyphenoxy]-N-butylpropanamide
SMILESCCCCNC(=O)C(C)Oc1c(CCN)cccc1OC
InChIInChI=1S/C16H26N2O3/c1-4-5-11-18-16(19)12(2)21-15-13(9-10-17)7-6-8-14(15)20-3/h6-8,12H,4-5,9-11,17H2,1-3H3,(H,18,19)
InChIKeyFSITVLSIQQDUTJ-UHFFFAOYSA-N
XLogP1.88
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[2-(2-aminoethyl)-6-methoxyphenoxy]-N-butylpropanamide 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

2-[2-(2-aminoethyl)-6-methoxyphenoxy]-N-cyclopropylpropanamide
CID 60904735
2-[2-(aminomethyl)-6-methoxyphenoxy]-N-(3-methoxypropyl)propanamide
CID 43471430
(2R)-N-butyl-2-(2-methoxyphenoxy)propanamide
CID 40745436
2-[2-(2-aminoethyl)-6-bromophenoxy]-N-propylpropanamide
CID 61391964
2-[2-(ethylaminomethyl)-6-methoxyphenoxy]-N-propylpropanamide
CID 43471966
N-ethyl-2-[2-(hydroxymethyl)-6-methoxyphenoxy]propanamide
CID 43471524
2-[2-(2-aminoethyl)-6-ethoxyphenoxy]-N-methylpropanamide
CID 54930374
2-[2-(2-aminobutyl)-6-methoxyphenoxy]-N-ethylpropanamide
CID 60908144
2-[2-(2-aminoethyl)-6-chlorophenoxy]-N-ethylpropanamide
CID 112615083
2-[2-(aminomethyl)-6-methoxyphenoxy]-N-pentan-3-ylpropanamide
CID 43471427
2-[2-(2-aminoethyl)-6-ethoxyphenoxy]-N-cyclopropylpropanamide
CID 60905806
2-[2-(aminomethyl)-3-chlorophenoxy]-N-butylpropanamide
CID 114318420

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminoethyl)-6-methoxyphenoxy]-N-butylpropanamide?
The IUPAC name of 2-[2-(2-aminoethyl)-6-methoxyphenoxy]-N-butylpropanamide (CID 60904970) is 2-[2-(2-aminoethyl)-6-methoxyphenoxy]-N-butylpropanamide.
What is the SMILES notation for 2-[2-(2-aminoethyl)-6-methoxyphenoxy]-N-butylpropanamide?
The canonical SMILES for 2-[2-(2-aminoethyl)-6-methoxyphenoxy]-N-butylpropanamide is CCCCNC(=O)C(C)Oc1c(CCN)cccc1OC.
What is the InChIKey of 2-[2-(2-aminoethyl)-6-methoxyphenoxy]-N-butylpropanamide?
The InChIKey is FSITVLSIQQDUTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-4-5-11-18-16(19)12(2)21-15-13(9-10-17)7-6-8-14(15)20-3/h6-8,12H,4-5,9-11,17H2,1-3H3,(H,18,19).
What are the key properties of 2-[2-(2-aminoethyl)-6-methoxyphenoxy]-N-butylpropanamide?
2-[2-(2-aminoethyl)-6-methoxyphenoxy]-N-butylpropanamide has a molecular weight of 294.39 g/mol, XLogP of 1.88, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-aminoethyl)-6-methoxyphenoxy]-N-butylpropanamide is sourced from PubChem (CID 60904970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).