4-amino-N-[2-(2,6-dichlorophenyl)ethyl]-3-methoxybutanamide

C13H18Cl2N2O2 — CID 120590079

IUPAC4-amino-N-[2-(2,6-dichlorophenyl)ethyl]-3-methoxybutanamide
SMILESCOC(CN)CC(=O)NCCc1c(Cl)cccc1Cl
InChIInChI=1S/C13H18Cl2N2O2/c1-19-9(8-16)7-13(18)17-6-5-10-11(14)3-2-4-12(10)15/h2-4,9H,5-8,16H2,1H3,(H,17,18)
InChIKeyIMHHFFZRBYRCKD-UHFFFAOYSA-N
MW305.20 g/mol
LogP2.02
Rot. Bonds7

About 4-amino-N-[2-(2,6-dichlorophenyl)ethyl]-3-methoxybutanamide

4-amino-N-[2-(2,6-dichlorophenyl)ethyl]-3-methoxybutanamide (PubChem CID 120590079) has the molecular formula C13H18Cl2N2O2 and a molecular weight of 305.20 g/mol. Its IUPAC name is 4-amino-N-[2-(2,6-dichlorophenyl)ethyl]-3-methoxybutanamide.

Molecular Properties

Compound Name4-amino-N-[2-(2,6-dichlorophenyl)ethyl]-3-methoxybutanamide
PubChem CID120590079
Molecular FormulaC13H18Cl2N2O2
Molecular Weight305.20 g/mol
Exact Mass304.07
IUPAC Name4-amino-N-[2-(2,6-dichlorophenyl)ethyl]-3-methoxybutanamide
SMILESCOC(CN)CC(=O)NCCc1c(Cl)cccc1Cl
InChIInChI=1S/C13H18Cl2N2O2/c1-19-9(8-16)7-13(18)17-6-5-10-11(14)3-2-4-12(10)15/h2-4,9H,5-8,16H2,1H3,(H,17,18)
InChIKeyIMHHFFZRBYRCKD-UHFFFAOYSA-N
XLogP2.02
TPSA64.35 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 ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[2-(2,6-dichlorophenyl)-2-methylpropyl]-3-methoxybutanamide
CID 120591825
4-amino-3-methoxy-N-(2-thiophen-2-ylethyl)butanamide;hydrochloride
CID 120587130
4-amino-N-[2-(3-chlorophenoxy)ethyl]-3-methoxybutanamide
CID 120589375
4-amino-N-(2-aminoethyl)-3-methoxybutanamide
CID 103155547
(2R)-2-amino-N-[2-(2,6-dichlorophenyl)ethyl]propanamide
CID 119302301
4-amino-3-methoxy-N-(2-thiophen-3-ylethyl)butanamide
CID 103155650
4-amino-N-(3-chloro-2-fluorophenyl)-3-methoxybutanamide
CID 103154278
4-amino-3-methoxy-N-(2-naphthalen-2-ylethyl)butanamide;hydrochloride
CID 120589267
4-amino-3-methoxy-N-[2-(2-nitrophenyl)ethyl]butanamide
CID 120593305
4-amino-N-(3,3-diphenylpropyl)-3-methoxybutanamide;hydrochloride
CID 120586575
4-amino-N-[2-(4-chlorophenyl)sulfonylethyl]-3-methoxybutanamide
CID 120588902
4-amino-N-[2-(2-chlorophenoxy)butyl]-3-methoxybutanamide;hydrochloride
CID 120593905

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(2,6-dichlorophenyl)ethyl]-3-methoxybutanamide?
The IUPAC name of 4-amino-N-[2-(2,6-dichlorophenyl)ethyl]-3-methoxybutanamide (CID 120590079) is 4-amino-N-[2-(2,6-dichlorophenyl)ethyl]-3-methoxybutanamide.
What is the SMILES notation for 4-amino-N-[2-(2,6-dichlorophenyl)ethyl]-3-methoxybutanamide?
The canonical SMILES for 4-amino-N-[2-(2,6-dichlorophenyl)ethyl]-3-methoxybutanamide is COC(CN)CC(=O)NCCc1c(Cl)cccc1Cl.
What is the InChIKey of 4-amino-N-[2-(2,6-dichlorophenyl)ethyl]-3-methoxybutanamide?
The InChIKey is IMHHFFZRBYRCKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2O2/c1-19-9(8-16)7-13(18)17-6-5-10-11(14)3-2-4-12(10)15/h2-4,9H,5-8,16H2,1H3,(H,17,18).
What are the key properties of 4-amino-N-[2-(2,6-dichlorophenyl)ethyl]-3-methoxybutanamide?
4-amino-N-[2-(2,6-dichlorophenyl)ethyl]-3-methoxybutanamide has a molecular weight of 305.20 g/mol, XLogP of 2.02, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(2,6-dichlorophenyl)ethyl]-3-methoxybutanamide is sourced from PubChem (CID 120590079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).