N-ethyl-2-[4-methoxy-2-(propylaminomethyl)phenoxy]-N-methylacetamide

C16H26N2O3 — CID 43309412

IUPACN-ethyl-2-[4-methoxy-2-(propylaminomethyl)phenoxy]-N-methylacetamide
SMILESCCCNCc1cc(OC)ccc1OCC(=O)N(C)CC
InChIInChI=1S/C16H26N2O3/c1-5-9-17-11-13-10-14(20-4)7-8-15(13)21-12-16(19)18(3)6-2/h7-8,10,17H,5-6,9,11-12H2,1-4H3
InChIKeyMSJPTLDGPWUWLK-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.05
Rot. Bonds9

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

N-ethyl-2-[4-methoxy-2-(propylaminomethyl)phenoxy]-N-methylacetamide (PubChem CID 43309412) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is N-ethyl-2-[4-methoxy-2-(propylaminomethyl)phenoxy]-N-methylacetamide.

Molecular Properties

Compound NameN-ethyl-2-[4-methoxy-2-(propylaminomethyl)phenoxy]-N-methylacetamide
PubChem CID43309412
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC NameN-ethyl-2-[4-methoxy-2-(propylaminomethyl)phenoxy]-N-methylacetamide
SMILESCCCNCc1cc(OC)ccc1OCC(=O)N(C)CC
InChIInChI=1S/C16H26N2O3/c1-5-9-17-11-13-10-14(20-4)7-8-15(13)21-12-16(19)18(3)6-2/h7-8,10,17H,5-6,9,11-12H2,1-4H3
InChIKeyMSJPTLDGPWUWLK-UHFFFAOYSA-N
XLogP2.05
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-ethyl-2-[4-methoxy-2-(propylaminomethyl)phenoxy]-N-methylacetamide 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-[4-methoxy-2-(propylaminomethyl)phenoxy]-N-propylacetamide
CID 43276397
N-[[5-methoxy-2-(2-methylprop-2-enoxy)phenyl]methyl]propan-1-amine
CID 60880606
N-ethyl-2-[5-methoxy-2-[(propan-2-ylamino)methyl]phenoxy]-N-methylacetamide
CID 61267271
1-[4-methoxy-2-(propylaminomethyl)phenoxy]-2-methylpropan-2-ol
CID 60880225
2-[2-[ethyl(methyl)amino]-2-oxoethoxy]-5-methoxybenzoic acid
CID 43309744
N-[[2-(2-fluoroethoxy)-5-methoxyphenyl]methyl]propan-1-amine
CID 80698832
2-(2-amino-5-methoxyphenoxy)-N-ethyl-N-methylacetamide
CID 102702283
2-[(2-ethoxy-5-methoxyphenyl)methylamino]ethanol
CID 97179200
2-[4-methoxy-2-(propylaminomethyl)phenoxy]propanamide
CID 43276391
2-[2-(2-aminoethyl)-5-methoxyphenoxy]-N-ethyl-N-methylacetamide
CID 61268758
2-[5-methoxy-2-(propylaminomethyl)phenoxy]-N-methylacetamide
CID 61268168
N-[[2-(cyclopentylmethoxy)-5-methoxyphenyl]methyl]propan-1-amine
CID 61342420

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[4-methoxy-2-(propylaminomethyl)phenoxy]-N-methylacetamide?
The IUPAC name of N-ethyl-2-[4-methoxy-2-(propylaminomethyl)phenoxy]-N-methylacetamide (CID 43309412) is N-ethyl-2-[4-methoxy-2-(propylaminomethyl)phenoxy]-N-methylacetamide.
What is the SMILES notation for N-ethyl-2-[4-methoxy-2-(propylaminomethyl)phenoxy]-N-methylacetamide?
The canonical SMILES for N-ethyl-2-[4-methoxy-2-(propylaminomethyl)phenoxy]-N-methylacetamide is CCCNCc1cc(OC)ccc1OCC(=O)N(C)CC.
What is the InChIKey of N-ethyl-2-[4-methoxy-2-(propylaminomethyl)phenoxy]-N-methylacetamide?
The InChIKey is MSJPTLDGPWUWLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-5-9-17-11-13-10-14(20-4)7-8-15(13)21-12-16(19)18(3)6-2/h7-8,10,17H,5-6,9,11-12H2,1-4H3.
What are the key properties of N-ethyl-2-[4-methoxy-2-(propylaminomethyl)phenoxy]-N-methylacetamide?
N-ethyl-2-[4-methoxy-2-(propylaminomethyl)phenoxy]-N-methylacetamide has a molecular weight of 294.40 g/mol, XLogP of 2.05, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[4-methoxy-2-(propylaminomethyl)phenoxy]-N-methylacetamide is sourced from PubChem (CID 43309412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).