4-amino-N-(4-chloro-2-methoxy-5-methylphenyl)-3-methoxybutanamide;hydrochloride

C13H20Cl2N2O3 — CID 120586582

IUPAC4-amino-N-(4-chloro-2-methoxy-5-methylphenyl)-3-methoxybutanamide;hydrochloride
SMILESCOc1cc(Cl)c(C)cc1NC(=O)CC(CN)OC.Cl
InChIInChI=1S/C13H19ClN2O3.ClH/c1-8-4-11(12(19-3)6-10(8)14)16-13(17)5-9(7-15)18-2;/h4,6,9H,5,7,15H2,1-3H3,(H,16,17);1H
InChIKeyBDPQCFQFIPOXIQ-UHFFFAOYSA-N
MW323.22 g/mol
LogP2.38
Rot. Bonds6

About 4-amino-N-(4-chloro-2-methoxy-5-methylphenyl)-3-methoxybutanamide;hydrochloride

4-amino-N-(4-chloro-2-methoxy-5-methylphenyl)-3-methoxybutanamide;hydrochloride (PubChem CID 120586582) has the molecular formula C13H20Cl2N2O3 and a molecular weight of 323.22 g/mol. Its IUPAC name is 4-amino-N-(4-chloro-2-methoxy-5-methylphenyl)-3-methoxybutanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-(4-chloro-2-methoxy-5-methylphenyl)-3-methoxybutanamide;hydrochloride
PubChem CID120586582
Molecular FormulaC13H20Cl2N2O3
Molecular Weight323.22 g/mol
Exact Mass322.09
IUPAC Name4-amino-N-(4-chloro-2-methoxy-5-methylphenyl)-3-methoxybutanamide;hydrochloride
SMILESCOc1cc(Cl)c(C)cc1NC(=O)CC(CN)OC.Cl
InChIInChI=1S/C13H19ClN2O3.ClH/c1-8-4-11(12(19-3)6-10(8)14)16-13(17)5-9(7-15)18-2;/h4,6,9H,5,7,15H2,1-3H3,(H,16,17);1H
InChIKeyBDPQCFQFIPOXIQ-UHFFFAOYSA-N
XLogP2.38
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.22
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(4-chloro-2,5-dimethoxyphenyl)-3-methoxybutanamide;hydrochloride
CID 120586930
N-(4-chloro-2-methoxy-5-methylphenyl)-3-methylbutanamide
CID 9397630
4-amino-3-methoxy-N-(2,4,5-trimethoxyphenyl)butanamide
CID 120593617
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(methylamino)acetamide
CID 24702273
3-amino-N-(4-chloro-2-methoxy-5-methylphenyl)-3-sulfanylidenepropanamide
CID 28942379
N-(4-chloro-2-methoxy-5-methylphenyl)-3-phenylbutanamide
CID 4262485
N-(4-chloro-2-methoxy-5-methylphenyl)-4-oxopentanamide
CID 60637672
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4-sulfanylphenyl)acetamide
CID 107020003
N-(4-chloro-2-methoxy-5-methylphenyl)-5-hydroxypentanamide
CID 79018979
methyl 2-[(4-amino-3-methoxybutanoyl)amino]-4,5-dimethoxybenzoate
CID 120586654
N-(4-chloro-2-methoxy-5-methylphenyl)-N'-(5-chloro-2-methoxyphenyl)propanediamide
CID 108955473
3-amino-N-(5-chloro-2-methoxy-4-methylphenyl)-2-methylpropanamide
CID 115153476

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-chloro-2-methoxy-5-methylphenyl)-3-methoxybutanamide;hydrochloride?
The IUPAC name of 4-amino-N-(4-chloro-2-methoxy-5-methylphenyl)-3-methoxybutanamide;hydrochloride (CID 120586582) is 4-amino-N-(4-chloro-2-methoxy-5-methylphenyl)-3-methoxybutanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-(4-chloro-2-methoxy-5-methylphenyl)-3-methoxybutanamide;hydrochloride?
The canonical SMILES for 4-amino-N-(4-chloro-2-methoxy-5-methylphenyl)-3-methoxybutanamide;hydrochloride is COc1cc(Cl)c(C)cc1NC(=O)CC(CN)OC.Cl.
What is the InChIKey of 4-amino-N-(4-chloro-2-methoxy-5-methylphenyl)-3-methoxybutanamide;hydrochloride?
The InChIKey is BDPQCFQFIPOXIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O3.ClH/c1-8-4-11(12(19-3)6-10(8)14)16-13(17)5-9(7-15)18-2;/h4,6,9H,5,7,15H2,1-3H3,(H,16,17);1H.
What are the key properties of 4-amino-N-(4-chloro-2-methoxy-5-methylphenyl)-3-methoxybutanamide;hydrochloride?
4-amino-N-(4-chloro-2-methoxy-5-methylphenyl)-3-methoxybutanamide;hydrochloride has a molecular weight of 323.22 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-chloro-2-methoxy-5-methylphenyl)-3-methoxybutanamide;hydrochloride is sourced from PubChem (CID 120586582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).