2-[2,4-dichloro-6-(methylaminomethyl)phenoxy]-N-propylpropanamide

C14H20Cl2N2O2 — CID 43515713

IUPAC2-[2,4-dichloro-6-(methylaminomethyl)phenoxy]-N-propylpropanamide
SMILESCCCNC(=O)C(C)Oc1c(Cl)cc(Cl)cc1CNC
InChIInChI=1S/C14H20Cl2N2O2/c1-4-5-18-14(19)9(2)20-13-10(8-17-3)6-11(15)7-12(13)16/h6-7,9,17H,4-5,8H2,1-3H3,(H,18,19)
InChIKeyYJHIZQBUDZEMCT-UHFFFAOYSA-N
MW319.23 g/mol
LogP3.01
Rot. Bonds7

About 2-[2,4-dichloro-6-(methylaminomethyl)phenoxy]-N-propylpropanamide

2-[2,4-dichloro-6-(methylaminomethyl)phenoxy]-N-propylpropanamide (PubChem CID 43515713) has the molecular formula C14H20Cl2N2O2 and a molecular weight of 319.23 g/mol. Its IUPAC name is 2-[2,4-dichloro-6-(methylaminomethyl)phenoxy]-N-propylpropanamide.

Molecular Properties

Compound Name2-[2,4-dichloro-6-(methylaminomethyl)phenoxy]-N-propylpropanamide
PubChem CID43515713
Molecular FormulaC14H20Cl2N2O2
Molecular Weight319.23 g/mol
Exact Mass318.09
IUPAC Name2-[2,4-dichloro-6-(methylaminomethyl)phenoxy]-N-propylpropanamide
SMILESCCCNC(=O)C(C)Oc1c(Cl)cc(Cl)cc1CNC
InChIInChI=1S/C14H20Cl2N2O2/c1-4-5-18-14(19)9(2)20-13-10(8-17-3)6-11(15)7-12(13)16/h6-7,9,17H,4-5,8H2,1-3H3,(H,18,19)
InChIKeyYJHIZQBUDZEMCT-UHFFFAOYSA-N
XLogP3.01
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.23
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2,4-dichloro-6-(methylaminomethyl)phenoxy]-N-ethylpropanamide
CID 43515707
2-[2,4-dichloro-6-(ethylaminomethyl)phenoxy]-N-ethylpropanamide
CID 43515771
2-[2,4-dichloro-6-(hydroxymethyl)phenoxy]-N-pentylpropanamide
CID 43516286
N-carbamoyl-2-[2,4-dichloro-6-(ethylaminomethyl)phenoxy]propanamide
CID 43515774
N-cyclopropyl-2-[2,4-dichloro-6-(ethylaminomethyl)phenoxy]propanamide
CID 43515770
2-[2,4-dichloro-6-(methylaminomethyl)phenoxy]-N-(3-methylbutyl)acetamide
CID 61486646
2-[2-(2-aminopropyl)-4,6-dichlorophenoxy]-N-methylpropanamide
CID 54928907
2-[2-(aminomethyl)-4,6-dichlorophenoxy]-N-prop-2-enylpropanamide
CID 60890212
2-[2,4-dichloro-6-(methylaminomethyl)phenoxy]-N-pentan-3-ylacetamide
CID 61486830
2-[4-chloro-2-(propylaminomethyl)phenoxy]-N-propylpropanamide
CID 43277990
2-[2-chloro-6-(methylaminomethyl)phenoxy]-N-prop-2-ynylpropanamide
CID 112608703
2-[4-chloro-2-[(propan-2-ylamino)methyl]phenoxy]-N-propylpropanamide
CID 43278038

Frequently Asked Questions

What is the IUPAC name of 2-[2,4-dichloro-6-(methylaminomethyl)phenoxy]-N-propylpropanamide?
The IUPAC name of 2-[2,4-dichloro-6-(methylaminomethyl)phenoxy]-N-propylpropanamide (CID 43515713) is 2-[2,4-dichloro-6-(methylaminomethyl)phenoxy]-N-propylpropanamide.
What is the SMILES notation for 2-[2,4-dichloro-6-(methylaminomethyl)phenoxy]-N-propylpropanamide?
The canonical SMILES for 2-[2,4-dichloro-6-(methylaminomethyl)phenoxy]-N-propylpropanamide is CCCNC(=O)C(C)Oc1c(Cl)cc(Cl)cc1CNC.
What is the InChIKey of 2-[2,4-dichloro-6-(methylaminomethyl)phenoxy]-N-propylpropanamide?
The InChIKey is YJHIZQBUDZEMCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2O2/c1-4-5-18-14(19)9(2)20-13-10(8-17-3)6-11(15)7-12(13)16/h6-7,9,17H,4-5,8H2,1-3H3,(H,18,19).
What are the key properties of 2-[2,4-dichloro-6-(methylaminomethyl)phenoxy]-N-propylpropanamide?
2-[2,4-dichloro-6-(methylaminomethyl)phenoxy]-N-propylpropanamide has a molecular weight of 319.23 g/mol, XLogP of 3.01, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,4-dichloro-6-(methylaminomethyl)phenoxy]-N-propylpropanamide is sourced from PubChem (CID 43515713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).