4-amino-N-[1-(3-chlorophenyl)ethyl]-3-methoxybutanamide;hydrochloride

C13H20Cl2N2O2 — CID 120587021

IUPAC4-amino-N-[1-(3-chlorophenyl)ethyl]-3-methoxybutanamide;hydrochloride
SMILESCOC(CN)CC(=O)NC(C)c1cccc(Cl)c1.Cl
InChIInChI=1S/C13H19ClN2O2.ClH/c1-9(10-4-3-5-11(14)6-10)16-13(17)7-12(8-15)18-2;/h3-6,9,12H,7-8,15H2,1-2H3,(H,16,17);1H
InChIKeyFJANLHXHYSIUOI-UHFFFAOYSA-N
MW307.22 g/mol
LogP2.30
Rot. Bonds6

About 4-amino-N-[1-(3-chlorophenyl)ethyl]-3-methoxybutanamide;hydrochloride

4-amino-N-[1-(3-chlorophenyl)ethyl]-3-methoxybutanamide;hydrochloride (PubChem CID 120587021) has the molecular formula C13H20Cl2N2O2 and a molecular weight of 307.22 g/mol. Its IUPAC name is 4-amino-N-[1-(3-chlorophenyl)ethyl]-3-methoxybutanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-[1-(3-chlorophenyl)ethyl]-3-methoxybutanamide;hydrochloride
PubChem CID120587021
Molecular FormulaC13H20Cl2N2O2
Molecular Weight307.22 g/mol
Exact Mass306.09
IUPAC Name4-amino-N-[1-(3-chlorophenyl)ethyl]-3-methoxybutanamide;hydrochloride
SMILESCOC(CN)CC(=O)NC(C)c1cccc(Cl)c1.Cl
InChIInChI=1S/C13H19ClN2O2.ClH/c1-9(10-4-3-5-11(14)6-10)16-13(17)7-12(8-15)18-2;/h3-6,9,12H,7-8,15H2,1-2H3,(H,16,17);1H
InChIKeyFJANLHXHYSIUOI-UHFFFAOYSA-N
XLogP2.30
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.22
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[1-(3-chlorophenyl)ethyl]-3-methylbutanamide
CID 81086824
3-amino-N-[1-(3-chlorophenyl)ethyl]butanamide;hydrochloride
CID 119685358
N-[1-(3-acetamidophenyl)ethyl]-4-amino-3-methoxybutanamide
CID 103155311
4-amino-N-(3-chlorophenyl)-3-methoxybutanamide;hydrochloride
CID 120586386
4-amino-N-[(3-chlorophenyl)-pyridin-2-ylmethyl]-3-methoxybutanamide
CID 120597413
2-chloro-N-[1-(3-chlorophenyl)ethyl]acetamide
CID 3764710
4-amino-N-[1-(4-bromophenyl)ethyl]-3-methoxybutanamide;hydrochloride
CID 120590463
4-amino-N-[1-(3-chlorophenyl)ethyl]pentanamide;hydrochloride
CID 120559119
4-amino-N-[1-(4-ethylphenyl)ethyl]-3-methoxybutanamide;hydrochloride
CID 120587047
3-amino-N-[1-(3-chlorophenyl)ethyl]-2,2-dimethylpropanamide;hydrochloride
CID 119685342
4-amino-3-methoxy-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]butanamide;dihydrochloride
CID 120595493
4-amino-N-[bis(3-methylphenyl)methyl]-3-methoxybutanamide;hydrochloride
CID 120593754

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-(3-chlorophenyl)ethyl]-3-methoxybutanamide;hydrochloride?
The IUPAC name of 4-amino-N-[1-(3-chlorophenyl)ethyl]-3-methoxybutanamide;hydrochloride (CID 120587021) is 4-amino-N-[1-(3-chlorophenyl)ethyl]-3-methoxybutanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-[1-(3-chlorophenyl)ethyl]-3-methoxybutanamide;hydrochloride?
The canonical SMILES for 4-amino-N-[1-(3-chlorophenyl)ethyl]-3-methoxybutanamide;hydrochloride is COC(CN)CC(=O)NC(C)c1cccc(Cl)c1.Cl.
What is the InChIKey of 4-amino-N-[1-(3-chlorophenyl)ethyl]-3-methoxybutanamide;hydrochloride?
The InChIKey is FJANLHXHYSIUOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2.ClH/c1-9(10-4-3-5-11(14)6-10)16-13(17)7-12(8-15)18-2;/h3-6,9,12H,7-8,15H2,1-2H3,(H,16,17);1H.
What are the key properties of 4-amino-N-[1-(3-chlorophenyl)ethyl]-3-methoxybutanamide;hydrochloride?
4-amino-N-[1-(3-chlorophenyl)ethyl]-3-methoxybutanamide;hydrochloride has a molecular weight of 307.22 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-(3-chlorophenyl)ethyl]-3-methoxybutanamide;hydrochloride is sourced from PubChem (CID 120587021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).