3-amino-N-[2-(2-chlorophenoxy)butyl]propanamide

C13H19ClN2O2 — CID 119340532

IUPAC3-amino-N-[2-(2-chlorophenoxy)butyl]propanamide
SMILESCCC(CNC(=O)CCN)Oc1ccccc1Cl
InChIInChI=1S/C13H19ClN2O2/c1-2-10(9-16-13(17)7-8-15)18-12-6-4-3-5-11(12)14/h3-6,10H,2,7-9,15H2,1H3,(H,16,17)
InChIKeyCFKGXROJNDTZEG-UHFFFAOYSA-N
MW270.76 g/mol
LogP1.96
Rot. Bonds7

About 3-amino-N-[2-(2-chlorophenoxy)butyl]propanamide

3-amino-N-[2-(2-chlorophenoxy)butyl]propanamide (PubChem CID 119340532) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is 3-amino-N-[2-(2-chlorophenoxy)butyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[2-(2-chlorophenoxy)butyl]propanamide
PubChem CID119340532
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC Name3-amino-N-[2-(2-chlorophenoxy)butyl]propanamide
SMILESCCC(CNC(=O)CCN)Oc1ccccc1Cl
InChIInChI=1S/C13H19ClN2O2/c1-2-10(9-16-13(17)7-8-15)18-12-6-4-3-5-11(12)14/h3-6,10H,2,7-9,15H2,1H3,(H,16,17)
InChIKeyCFKGXROJNDTZEG-UHFFFAOYSA-N
XLogP1.96
TPSA64.35 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 ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-chlorophenoxy)butyl]-2-(methylamino)acetamide
CID 119813227
4-amino-N-[2-(2-chlorophenoxy)butyl]-3-methoxybutanamide;hydrochloride
CID 120593905
2-amino-N-[2-(2-chlorophenoxy)butyl]-3-methylpentanamide
CID 119813247
N-[2-(2-chlorophenoxy)butyl]prop-2-enamide
CID 146089833
1-[(2S)-2-(2-chlorophenoxy)butyl]-3-[(2R)-2-hydroxypropyl]urea
CID 99836600
2-amino-N-[2-(2-chlorophenoxy)butyl]-4-methylsulfonylbutanamide;hydrochloride
CID 119957708
2-amino-N-[2-(2-fluorophenoxy)butyl]acetamide;hydrochloride
CID 119340592
(2S)-2-(2-chlorophenoxy)butan-1-amine
CID 94266424
3-(2-chlorophenoxy)pentanoic acid
CID 114990652
N-[2-(2-chlorophenoxy)propyl]-4-(methylamino)butanamide
CID 119725461
N-[2-(2-fluorophenoxy)butyl]-4-(methylamino)butanamide;hydrochloride
CID 119813320
2-[[[2-(2-chlorophenoxy)butylamino]-(ethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111968981

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(2-chlorophenoxy)butyl]propanamide?
The IUPAC name of 3-amino-N-[2-(2-chlorophenoxy)butyl]propanamide (CID 119340532) is 3-amino-N-[2-(2-chlorophenoxy)butyl]propanamide.
What is the SMILES notation for 3-amino-N-[2-(2-chlorophenoxy)butyl]propanamide?
The canonical SMILES for 3-amino-N-[2-(2-chlorophenoxy)butyl]propanamide is CCC(CNC(=O)CCN)Oc1ccccc1Cl.
What is the InChIKey of 3-amino-N-[2-(2-chlorophenoxy)butyl]propanamide?
The InChIKey is CFKGXROJNDTZEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2/c1-2-10(9-16-13(17)7-8-15)18-12-6-4-3-5-11(12)14/h3-6,10H,2,7-9,15H2,1H3,(H,16,17).
What are the key properties of 3-amino-N-[2-(2-chlorophenoxy)butyl]propanamide?
3-amino-N-[2-(2-chlorophenoxy)butyl]propanamide has a molecular weight of 270.76 g/mol, XLogP of 1.96, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(2-chlorophenoxy)butyl]propanamide is sourced from PubChem (CID 119340532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).