2-(3,5-dichlorophenoxy)-N-[3-(methylamino)propyl]propanamide

C13H18Cl2N2O2 — CID 119433605

IUPAC2-(3,5-dichlorophenoxy)-N-[3-(methylamino)propyl]propanamide
SMILESCNCCCNC(=O)C(C)Oc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H18Cl2N2O2/c1-9(13(18)17-5-3-4-16-2)19-12-7-10(14)6-11(15)8-12/h6-9,16H,3-5H2,1-2H3,(H,17,18)
InChIKeyBSGUQIPHVJCFBU-UHFFFAOYSA-N
MW305.20 g/mol
LogP2.49
Rot. Bonds7

About 2-(3,5-dichlorophenoxy)-N-[3-(methylamino)propyl]propanamide

2-(3,5-dichlorophenoxy)-N-[3-(methylamino)propyl]propanamide (PubChem CID 119433605) has the molecular formula C13H18Cl2N2O2 and a molecular weight of 305.20 g/mol. Its IUPAC name is 2-(3,5-dichlorophenoxy)-N-[3-(methylamino)propyl]propanamide.

Molecular Properties

Compound Name2-(3,5-dichlorophenoxy)-N-[3-(methylamino)propyl]propanamide
PubChem CID119433605
Molecular FormulaC13H18Cl2N2O2
Molecular Weight305.20 g/mol
Exact Mass304.07
IUPAC Name2-(3,5-dichlorophenoxy)-N-[3-(methylamino)propyl]propanamide
SMILESCNCCCNC(=O)C(C)Oc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H18Cl2N2O2/c1-9(13(18)17-5-3-4-16-2)19-12-7-10(14)6-11(15)8-12/h6-9,16H,3-5H2,1-2H3,(H,17,18)
InChIKeyBSGUQIPHVJCFBU-UHFFFAOYSA-N
XLogP2.49
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.20
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(3,5-dichlorophenoxy)propanoylamino]butanoic acid
CID 119170699
2-(3,4-dichlorophenoxy)-N-[3-(methylamino)propyl]propanamide;hydrochloride
CID 119430309
N-(2-aminoethyl)-2-(3,5-dichlorophenoxy)propanamide
CID 119385080
2-(4-chlorophenoxy)-N-[3-[2-(4-chlorophenoxy)propanoylamino]propyl]propanamide
CID 4944309
N-(2-aminoethyl)-2-(3,5-dichlorophenoxy)propanamide;hydrochloride
CID 119385079
2-(3,4-difluorophenoxy)-N-[3-(methylamino)propyl]propanamide;hydrochloride
CID 119430409
2-(4-bromophenoxy)-N-[3-(methylamino)propyl]propanamide
CID 119433897
3-[2-(3,5-dichlorophenoxy)propanoylamino]-2,2-dimethylpropanoic acid
CID 119249555
(2R)-2-(3-chlorophenoxy)-N-[2-[[(2R)-2-(3-chlorophenoxy)propanoyl]amino]ethyl]propanamide
CID 2165550
(2S)-2-(3,5-dichlorophenoxy)-N-methoxypropanamide
CID 95293041
2-(2-chlorophenoxy)-N-[3-(methylamino)propyl]propanamide;hydrochloride
CID 119431400
2-(2-chloro-4-fluorophenoxy)-N-[3-(methylamino)propyl]propanamide;hydrochloride
CID 119434380

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichlorophenoxy)-N-[3-(methylamino)propyl]propanamide?
The IUPAC name of 2-(3,5-dichlorophenoxy)-N-[3-(methylamino)propyl]propanamide (CID 119433605) is 2-(3,5-dichlorophenoxy)-N-[3-(methylamino)propyl]propanamide.
What is the SMILES notation for 2-(3,5-dichlorophenoxy)-N-[3-(methylamino)propyl]propanamide?
The canonical SMILES for 2-(3,5-dichlorophenoxy)-N-[3-(methylamino)propyl]propanamide is CNCCCNC(=O)C(C)Oc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 2-(3,5-dichlorophenoxy)-N-[3-(methylamino)propyl]propanamide?
The InChIKey is BSGUQIPHVJCFBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2O2/c1-9(13(18)17-5-3-4-16-2)19-12-7-10(14)6-11(15)8-12/h6-9,16H,3-5H2,1-2H3,(H,17,18).
What are the key properties of 2-(3,5-dichlorophenoxy)-N-[3-(methylamino)propyl]propanamide?
2-(3,5-dichlorophenoxy)-N-[3-(methylamino)propyl]propanamide has a molecular weight of 305.20 g/mol, XLogP of 2.49, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichlorophenoxy)-N-[3-(methylamino)propyl]propanamide is sourced from PubChem (CID 119433605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).