2-[4-chloro-2-methoxy-6-(propylaminomethyl)phenoxy]-N-ethylacetamide

C15H23ClN2O3 — CID 104664816

IUPAC2-[4-chloro-2-methoxy-6-(propylaminomethyl)phenoxy]-N-ethylacetamide
SMILESCCCNCc1cc(Cl)cc(OC)c1OCC(=O)NCC
InChIInChI=1S/C15H23ClN2O3/c1-4-6-17-9-11-7-12(16)8-13(20-3)15(11)21-10-14(19)18-5-2/h7-8,17H,4-6,9-10H2,1-3H3,(H,18,19)
InChIKeyXPKZVHAPKNLNOS-UHFFFAOYSA-N
MW314.81 g/mol
LogP2.36
Rot. Bonds9

About 2-[4-chloro-2-methoxy-6-(propylaminomethyl)phenoxy]-N-ethylacetamide

2-[4-chloro-2-methoxy-6-(propylaminomethyl)phenoxy]-N-ethylacetamide (PubChem CID 104664816) has the molecular formula C15H23ClN2O3 and a molecular weight of 314.81 g/mol. Its IUPAC name is 2-[4-chloro-2-methoxy-6-(propylaminomethyl)phenoxy]-N-ethylacetamide.

Molecular Properties

Compound Name2-[4-chloro-2-methoxy-6-(propylaminomethyl)phenoxy]-N-ethylacetamide
PubChem CID104664816
Molecular FormulaC15H23ClN2O3
Molecular Weight314.81 g/mol
Exact Mass314.14
IUPAC Name2-[4-chloro-2-methoxy-6-(propylaminomethyl)phenoxy]-N-ethylacetamide
SMILESCCCNCc1cc(Cl)cc(OC)c1OCC(=O)NCC
InChIInChI=1S/C15H23ClN2O3/c1-4-6-17-9-11-7-12(16)8-13(20-3)15(11)21-10-14(19)18-5-2/h7-8,17H,4-6,9-10H2,1-3H3,(H,18,19)
InChIKeyXPKZVHAPKNLNOS-UHFFFAOYSA-N
XLogP2.36
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.81
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-chloro-2-methoxy-6-[(propan-2-ylamino)methyl]phenoxy]-N-ethylacetamide
CID 104664912
N-(cyanomethyl)-2-[2,4-dichloro-6-(propylaminomethyl)phenoxy]acetamide
CID 60888684
2-[2-bromo-6-methoxy-4-(propylaminomethyl)phenoxy]-N-ethylacetamide
CID 43622360
2-(4-chloro-2-formyl-6-methoxyphenoxy)-N-propylacetamide
CID 113438774
3-[(5-chloro-2-ethoxy-3-methoxyphenyl)methylamino]propanoic acid
CID 102536589
N-[[5-chloro-3-methoxy-2-(2-propoxyethoxy)phenyl]methyl]ethanamine
CID 106450715
2-[2,4-dichloro-6-(propylaminomethyl)phenoxy]-N-propan-2-ylacetamide
CID 43515791
2-[2-[(tert-butylamino)methyl]-4-chloro-6-methoxyphenoxy]-N-methylacetamide
CID 104665072
2-[4-chloro-2-(hydroxymethyl)-6-methoxyphenoxy]-N-(cyanomethyl)acetamide
CID 104666010
N-ethyl-2-[2-methoxy-6-[(2-methoxyethylamino)methyl]phenoxy]acetamide
CID 63056273
2-[4-chloro-2-(hydroxymethyl)-6-methoxyphenoxy]-N-(3-methylbutyl)acetamide
CID 104666002
N-[(5-chloro-2-ethoxy-3-methoxyphenyl)methyl]heptan-1-amine
CID 17157729

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-2-methoxy-6-(propylaminomethyl)phenoxy]-N-ethylacetamide?
The IUPAC name of 2-[4-chloro-2-methoxy-6-(propylaminomethyl)phenoxy]-N-ethylacetamide (CID 104664816) is 2-[4-chloro-2-methoxy-6-(propylaminomethyl)phenoxy]-N-ethylacetamide.
What is the SMILES notation for 2-[4-chloro-2-methoxy-6-(propylaminomethyl)phenoxy]-N-ethylacetamide?
The canonical SMILES for 2-[4-chloro-2-methoxy-6-(propylaminomethyl)phenoxy]-N-ethylacetamide is CCCNCc1cc(Cl)cc(OC)c1OCC(=O)NCC.
What is the InChIKey of 2-[4-chloro-2-methoxy-6-(propylaminomethyl)phenoxy]-N-ethylacetamide?
The InChIKey is XPKZVHAPKNLNOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O3/c1-4-6-17-9-11-7-12(16)8-13(20-3)15(11)21-10-14(19)18-5-2/h7-8,17H,4-6,9-10H2,1-3H3,(H,18,19).
What are the key properties of 2-[4-chloro-2-methoxy-6-(propylaminomethyl)phenoxy]-N-ethylacetamide?
2-[4-chloro-2-methoxy-6-(propylaminomethyl)phenoxy]-N-ethylacetamide has a molecular weight of 314.81 g/mol, XLogP of 2.36, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-2-methoxy-6-(propylaminomethyl)phenoxy]-N-ethylacetamide is sourced from PubChem (CID 104664816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).