2-[4-methoxy-2-(propylaminomethyl)phenoxy]-N-propylacetamide

C16H26N2O3 — CID 43276397

IUPAC2-[4-methoxy-2-(propylaminomethyl)phenoxy]-N-propylacetamide
SMILESCCCNCc1cc(OC)ccc1OCC(=O)NCCC
InChIInChI=1S/C16H26N2O3/c1-4-8-17-11-13-10-14(20-3)6-7-15(13)21-12-16(19)18-9-5-2/h6-7,10,17H,4-5,8-9,11-12H2,1-3H3,(H,18,19)
InChIKeyDEZDRCWDUMDAMA-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.10
Rot. Bonds10

About 2-[4-methoxy-2-(propylaminomethyl)phenoxy]-N-propylacetamide

2-[4-methoxy-2-(propylaminomethyl)phenoxy]-N-propylacetamide (PubChem CID 43276397) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is 2-[4-methoxy-2-(propylaminomethyl)phenoxy]-N-propylacetamide.

Molecular Properties

Compound Name2-[4-methoxy-2-(propylaminomethyl)phenoxy]-N-propylacetamide
PubChem CID43276397
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC Name2-[4-methoxy-2-(propylaminomethyl)phenoxy]-N-propylacetamide
SMILESCCCNCc1cc(OC)ccc1OCC(=O)NCCC
InChIInChI=1S/C16H26N2O3/c1-4-8-17-11-13-10-14(20-3)6-7-15(13)21-12-16(19)18-9-5-2/h6-7,10,17H,4-5,8-9,11-12H2,1-3H3,(H,18,19)
InChIKeyDEZDRCWDUMDAMA-UHFFFAOYSA-N
XLogP2.10
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[4-methoxy-2-(propylaminomethyl)phenoxy]-N-propylacetamide 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-(ethylaminomethyl)-4-methoxyphenoxy]-N-(2-methoxyethyl)acetamide
CID 61487646
N-[[5-methoxy-2-(2-methylprop-2-enoxy)phenyl]methyl]propan-1-amine
CID 60880606
N-ethyl-2-[4-methoxy-2-(propylaminomethyl)phenoxy]-N-methylacetamide
CID 43309412
2-[5-methoxy-2-(propylaminomethyl)phenoxy]-N-methylacetamide
CID 61268168
1-[4-methoxy-2-(propylaminomethyl)phenoxy]-2-methylpropan-2-ol
CID 60880225
N-butyl-2-[2-(ethylaminomethyl)-5-methoxyphenoxy]acetamide
CID 61485485
2-(2-acetyl-5-methoxyphenoxy)-N-propylacetamide
CID 40625824
N-[[2-(2-fluoroethoxy)-5-methoxyphenyl]methyl]propan-1-amine
CID 80698832
2-[4-bromo-2-(propylaminomethyl)phenoxy]-N-(cyanomethyl)acetamide
CID 60882931
2-[2-(hydroxymethyl)-4-methoxyphenoxy]-N-(2-methoxyethyl)acetamide
CID 61485540
3-[(2,4-dimethoxyphenyl)methylamino]-N-propylpropanamide
CID 61059017
2-[4-methoxy-2-(propylaminomethyl)phenoxy]propanamide
CID 43276391

Frequently Asked Questions

What is the IUPAC name of 2-[4-methoxy-2-(propylaminomethyl)phenoxy]-N-propylacetamide?
The IUPAC name of 2-[4-methoxy-2-(propylaminomethyl)phenoxy]-N-propylacetamide (CID 43276397) is 2-[4-methoxy-2-(propylaminomethyl)phenoxy]-N-propylacetamide.
What is the SMILES notation for 2-[4-methoxy-2-(propylaminomethyl)phenoxy]-N-propylacetamide?
The canonical SMILES for 2-[4-methoxy-2-(propylaminomethyl)phenoxy]-N-propylacetamide is CCCNCc1cc(OC)ccc1OCC(=O)NCCC.
What is the InChIKey of 2-[4-methoxy-2-(propylaminomethyl)phenoxy]-N-propylacetamide?
The InChIKey is DEZDRCWDUMDAMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-4-8-17-11-13-10-14(20-3)6-7-15(13)21-12-16(19)18-9-5-2/h6-7,10,17H,4-5,8-9,11-12H2,1-3H3,(H,18,19).
What are the key properties of 2-[4-methoxy-2-(propylaminomethyl)phenoxy]-N-propylacetamide?
2-[4-methoxy-2-(propylaminomethyl)phenoxy]-N-propylacetamide has a molecular weight of 294.40 g/mol, XLogP of 2.10, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methoxy-2-(propylaminomethyl)phenoxy]-N-propylacetamide is sourced from PubChem (CID 43276397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).