N-[2-(2-chlorophenoxy)butyl]-2-(methylamino)acetamide

C13H19ClN2O2 — CID 119813227

IUPACN-[2-(2-chlorophenoxy)butyl]-2-(methylamino)acetamide
SMILESCCC(CNC(=O)CNC)Oc1ccccc1Cl
InChIInChI=1S/C13H19ClN2O2/c1-3-10(8-16-13(17)9-15-2)18-12-7-5-4-6-11(12)14/h4-7,10,15H,3,8-9H2,1-2H3,(H,16,17)
InChIKeyFJRKZBKEPIFHOE-UHFFFAOYSA-N
MW270.76 g/mol
LogP1.83
Rot. Bonds7

About N-[2-(2-chlorophenoxy)butyl]-2-(methylamino)acetamide

N-[2-(2-chlorophenoxy)butyl]-2-(methylamino)acetamide (PubChem CID 119813227) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is N-[2-(2-chlorophenoxy)butyl]-2-(methylamino)acetamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenoxy)butyl]-2-(methylamino)acetamide
PubChem CID119813227
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC NameN-[2-(2-chlorophenoxy)butyl]-2-(methylamino)acetamide
SMILESCCC(CNC(=O)CNC)Oc1ccccc1Cl
InChIInChI=1S/C13H19ClN2O2/c1-3-10(8-16-13(17)9-15-2)18-12-7-5-4-6-11(12)14/h4-7,10,15H,3,8-9H2,1-2H3,(H,16,17)
InChIKeyFJRKZBKEPIFHOE-UHFFFAOYSA-N
XLogP1.83
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[2-(2-chlorophenoxy)butyl]propanamide
CID 119340532
4-amino-N-[2-(2-chlorophenoxy)butyl]-3-methoxybutanamide;hydrochloride
CID 120593905
1-[(2S)-2-(2-chlorophenoxy)butyl]-3-[(2R)-2-hydroxypropyl]urea
CID 99836600
N-[2-(2-chlorophenoxy)butyl]prop-2-enamide
CID 146089833
2-amino-N-[2-(2-chlorophenoxy)butyl]-3-methylpentanamide
CID 119813247
2-amino-N-[2-(2-chlorophenoxy)butyl]-4-methylsulfonylbutanamide;hydrochloride
CID 119957708
3-(2-chlorophenoxy)pentanoic acid
CID 114990652
N-[2-(2-chlorophenoxy)propyl]-4-(methylamino)butanamide
CID 119725461
2-[[[2-(2-chlorophenoxy)butylamino]-(ethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111968981
N-[2-(2-chlorophenoxy)butyl]piperidine-2-carboxamide
CID 119340528
N-[(2S)-2-(2-chlorophenoxy)butyl]-5-(hydroxymethyl)-3-methylfuran-2-carboxamide
CID 124877623
N-[2-(2-fluorophenoxy)butyl]-4-(methylamino)butanamide;hydrochloride
CID 119813320

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenoxy)butyl]-2-(methylamino)acetamide?
The IUPAC name of N-[2-(2-chlorophenoxy)butyl]-2-(methylamino)acetamide (CID 119813227) is N-[2-(2-chlorophenoxy)butyl]-2-(methylamino)acetamide.
What is the SMILES notation for N-[2-(2-chlorophenoxy)butyl]-2-(methylamino)acetamide?
The canonical SMILES for N-[2-(2-chlorophenoxy)butyl]-2-(methylamino)acetamide is CCC(CNC(=O)CNC)Oc1ccccc1Cl.
What is the InChIKey of N-[2-(2-chlorophenoxy)butyl]-2-(methylamino)acetamide?
The InChIKey is FJRKZBKEPIFHOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2/c1-3-10(8-16-13(17)9-15-2)18-12-7-5-4-6-11(12)14/h4-7,10,15H,3,8-9H2,1-2H3,(H,16,17).
What are the key properties of N-[2-(2-chlorophenoxy)butyl]-2-(methylamino)acetamide?
N-[2-(2-chlorophenoxy)butyl]-2-(methylamino)acetamide has a molecular weight of 270.76 g/mol, XLogP of 1.83, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenoxy)butyl]-2-(methylamino)acetamide is sourced from PubChem (CID 119813227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).