4-amino-N-[2-(2-chlorophenoxy)butyl]-3-methoxybutanamide;hydrochloride

C15H24Cl2N2O3 — CID 120593905

IUPAC4-amino-N-[2-(2-chlorophenoxy)butyl]-3-methoxybutanamide;hydrochloride
SMILESCCC(CNC(=O)CC(CN)OC)Oc1ccccc1Cl.Cl
InChIInChI=1S/C15H23ClN2O3.ClH/c1-3-11(21-14-7-5-4-6-13(14)16)10-18-15(19)8-12(9-17)20-2;/h4-7,11-12H,3,8-10,17H2,1-2H3,(H,18,19);1H
InChIKeyLMOYCWSUXHSAOA-UHFFFAOYSA-N
MW351.27 g/mol
LogP2.40
Rot. Bonds9

About 4-amino-N-[2-(2-chlorophenoxy)butyl]-3-methoxybutanamide;hydrochloride

4-amino-N-[2-(2-chlorophenoxy)butyl]-3-methoxybutanamide;hydrochloride (PubChem CID 120593905) has the molecular formula C15H24Cl2N2O3 and a molecular weight of 351.27 g/mol. Its IUPAC name is 4-amino-N-[2-(2-chlorophenoxy)butyl]-3-methoxybutanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-[2-(2-chlorophenoxy)butyl]-3-methoxybutanamide;hydrochloride
PubChem CID120593905
Molecular FormulaC15H24Cl2N2O3
Molecular Weight351.27 g/mol
Exact Mass350.12
IUPAC Name4-amino-N-[2-(2-chlorophenoxy)butyl]-3-methoxybutanamide;hydrochloride
SMILESCCC(CNC(=O)CC(CN)OC)Oc1ccccc1Cl.Cl
InChIInChI=1S/C15H23ClN2O3.ClH/c1-3-11(21-14-7-5-4-6-13(14)16)10-18-15(19)8-12(9-17)20-2;/h4-7,11-12H,3,8-10,17H2,1-2H3,(H,18,19);1H
InChIKeyLMOYCWSUXHSAOA-UHFFFAOYSA-N
XLogP2.40
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.27
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[2-(2-chlorophenoxy)butyl]propanamide
CID 119340532
N-[2-(2-chlorophenoxy)butyl]-2-(methylamino)acetamide
CID 119813227
(2S)-2-(2-chlorophenoxy)butan-1-amine
CID 94266424
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
3-(2-chlorophenoxy)pentanoic acid
CID 114990652
4-amino-N-[2-(2,6-dichlorophenyl)ethyl]-3-methoxybutanamide
CID 120590079
4-amino-N-[2-(diethylamino)-2-phenylethyl]-3-methoxybutanamide;dihydrochloride
CID 120586284
4-[2-(2-chlorophenoxy)propanoylamino]-3-methoxybutanoic acid
CID 103152889

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(2-chlorophenoxy)butyl]-3-methoxybutanamide;hydrochloride?
The IUPAC name of 4-amino-N-[2-(2-chlorophenoxy)butyl]-3-methoxybutanamide;hydrochloride (CID 120593905) is 4-amino-N-[2-(2-chlorophenoxy)butyl]-3-methoxybutanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-[2-(2-chlorophenoxy)butyl]-3-methoxybutanamide;hydrochloride?
The canonical SMILES for 4-amino-N-[2-(2-chlorophenoxy)butyl]-3-methoxybutanamide;hydrochloride is CCC(CNC(=O)CC(CN)OC)Oc1ccccc1Cl.Cl.
What is the InChIKey of 4-amino-N-[2-(2-chlorophenoxy)butyl]-3-methoxybutanamide;hydrochloride?
The InChIKey is LMOYCWSUXHSAOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O3.ClH/c1-3-11(21-14-7-5-4-6-13(14)16)10-18-15(19)8-12(9-17)20-2;/h4-7,11-12H,3,8-10,17H2,1-2H3,(H,18,19);1H.
What are the key properties of 4-amino-N-[2-(2-chlorophenoxy)butyl]-3-methoxybutanamide;hydrochloride?
4-amino-N-[2-(2-chlorophenoxy)butyl]-3-methoxybutanamide;hydrochloride has a molecular weight of 351.27 g/mol, XLogP of 2.40, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(2-chlorophenoxy)butyl]-3-methoxybutanamide;hydrochloride is sourced from PubChem (CID 120593905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).