4-amino-N-(4-chloro-2,5-dimethoxyphenyl)-3-methoxybutanamide;hydrochloride

C13H20Cl2N2O4 — CID 120586930

IUPAC4-amino-N-(4-chloro-2,5-dimethoxyphenyl)-3-methoxybutanamide;hydrochloride
SMILESCOc1cc(NC(=O)CC(CN)OC)c(OC)cc1Cl.Cl
InChIInChI=1S/C13H19ClN2O4.ClH/c1-18-8(7-15)4-13(17)16-10-6-11(19-2)9(14)5-12(10)20-3;/h5-6,8H,4,7,15H2,1-3H3,(H,16,17);1H
InChIKeyBJJOKDXXNZZFID-UHFFFAOYSA-N
MW339.22 g/mol
LogP2.08
Rot. Bonds7

About 4-amino-N-(4-chloro-2,5-dimethoxyphenyl)-3-methoxybutanamide;hydrochloride

4-amino-N-(4-chloro-2,5-dimethoxyphenyl)-3-methoxybutanamide;hydrochloride (PubChem CID 120586930) has the molecular formula C13H20Cl2N2O4 and a molecular weight of 339.22 g/mol. Its IUPAC name is 4-amino-N-(4-chloro-2,5-dimethoxyphenyl)-3-methoxybutanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-(4-chloro-2,5-dimethoxyphenyl)-3-methoxybutanamide;hydrochloride
PubChem CID120586930
Molecular FormulaC13H20Cl2N2O4
Molecular Weight339.22 g/mol
Exact Mass338.08
IUPAC Name4-amino-N-(4-chloro-2,5-dimethoxyphenyl)-3-methoxybutanamide;hydrochloride
SMILESCOc1cc(NC(=O)CC(CN)OC)c(OC)cc1Cl.Cl
InChIInChI=1S/C13H19ClN2O4.ClH/c1-18-8(7-15)4-13(17)16-10-6-11(19-2)9(14)5-12(10)20-3;/h5-6,8H,4,7,15H2,1-3H3,(H,16,17);1H
InChIKeyBJJOKDXXNZZFID-UHFFFAOYSA-N
XLogP2.08
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.22
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-(4-chloro-2-methoxy-5-methylphenyl)-3-methoxybutanamide;hydrochloride
CID 120586582
4-amino-3-methoxy-N-(2,4,5-trimethoxyphenyl)butanamide
CID 120593617
3-(aminomethyl)-N-(5-chloro-2,4-dimethoxyphenyl)pentanamide
CID 81070242
methyl 2-[(4-amino-3-methoxybutanoyl)amino]-4,5-dimethoxybenzoate
CID 120586654
3-amino-N-(5-chloro-2,4-dimethoxyphenyl)butanamide
CID 60836807
7-amino-N-(4-chloro-2,5-dimethoxyphenyl)heptanamide;hydrochloride
CID 119683375
2-amino-N-(5-chloro-2,4-dimethoxyphenyl)acetamide
CID 24690060
2-(aminomethyl)-N-(4-chloro-2,5-dimethoxyphenyl)-3-methylbutanamide
CID 65225475
(3S)-N-(4-chloro-2,5-dimethoxyphenyl)-3-phenylbutanamide
CID 2286946
N-[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl]-3-methylbutanamide
CID 113001550
N-(4-chloro-2,5-dimethoxyphenyl)-4-(methylamino)butanamide
CID 54924434
2-amino-N-(4-chloro-2,5-dimethoxyphenyl)-3-methoxypropanamide
CID 81081918

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-chloro-2,5-dimethoxyphenyl)-3-methoxybutanamide;hydrochloride?
The IUPAC name of 4-amino-N-(4-chloro-2,5-dimethoxyphenyl)-3-methoxybutanamide;hydrochloride (CID 120586930) is 4-amino-N-(4-chloro-2,5-dimethoxyphenyl)-3-methoxybutanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-(4-chloro-2,5-dimethoxyphenyl)-3-methoxybutanamide;hydrochloride?
The canonical SMILES for 4-amino-N-(4-chloro-2,5-dimethoxyphenyl)-3-methoxybutanamide;hydrochloride is COc1cc(NC(=O)CC(CN)OC)c(OC)cc1Cl.Cl.
What is the InChIKey of 4-amino-N-(4-chloro-2,5-dimethoxyphenyl)-3-methoxybutanamide;hydrochloride?
The InChIKey is BJJOKDXXNZZFID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O4.ClH/c1-18-8(7-15)4-13(17)16-10-6-11(19-2)9(14)5-12(10)20-3;/h5-6,8H,4,7,15H2,1-3H3,(H,16,17);1H.
What are the key properties of 4-amino-N-(4-chloro-2,5-dimethoxyphenyl)-3-methoxybutanamide;hydrochloride?
4-amino-N-(4-chloro-2,5-dimethoxyphenyl)-3-methoxybutanamide;hydrochloride has a molecular weight of 339.22 g/mol, XLogP of 2.08, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-chloro-2,5-dimethoxyphenyl)-3-methoxybutanamide;hydrochloride is sourced from PubChem (CID 120586930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).