N-(2-chloro-4,5-dimethoxyphenyl)-2-(2-methoxyethylamino)acetamide

C13H19ClN2O4 — CID 79281493

IUPACN-(2-chloro-4,5-dimethoxyphenyl)-2-(2-methoxyethylamino)acetamide
SMILESCOCCNCC(=O)Nc1cc(OC)c(OC)cc1Cl
InChIInChI=1S/C13H19ClN2O4/c1-18-5-4-15-8-13(17)16-10-7-12(20-3)11(19-2)6-9(10)14/h6-7,15H,4-5,8H2,1-3H3,(H,16,17)
InChIKeyWRQWVROTKPFEPA-UHFFFAOYSA-N
MW302.76 g/mol
LogP1.53
Rot. Bonds8

About N-(2-chloro-4,5-dimethoxyphenyl)-2-(2-methoxyethylamino)acetamide

N-(2-chloro-4,5-dimethoxyphenyl)-2-(2-methoxyethylamino)acetamide (PubChem CID 79281493) has the molecular formula C13H19ClN2O4 and a molecular weight of 302.76 g/mol. Its IUPAC name is N-(2-chloro-4,5-dimethoxyphenyl)-2-(2-methoxyethylamino)acetamide.

Molecular Properties

Compound NameN-(2-chloro-4,5-dimethoxyphenyl)-2-(2-methoxyethylamino)acetamide
PubChem CID79281493
Molecular FormulaC13H19ClN2O4
Molecular Weight302.76 g/mol
Exact Mass302.10
IUPAC NameN-(2-chloro-4,5-dimethoxyphenyl)-2-(2-methoxyethylamino)acetamide
SMILESCOCCNCC(=O)Nc1cc(OC)c(OC)cc1Cl
InChIInChI=1S/C13H19ClN2O4/c1-18-5-4-15-8-13(17)16-10-7-12(20-3)11(19-2)6-9(10)14/h6-7,15H,4-5,8H2,1-3H3,(H,16,17)
InChIKeyWRQWVROTKPFEPA-UHFFFAOYSA-N
XLogP1.53
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.76
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-chloro-2-methoxy-4-[[2-(2-methoxyethylamino)acetyl]amino]benzoic acid
CID 79271305
N-(5-chloro-2-methoxyphenyl)-2-(2-methoxyethylamino)acetamide
CID 78908383
N-(2-chloro-5-fluorophenyl)-2-(2-methoxyethylamino)acetamide
CID 103808635
2-(2-methoxyethylamino)-N-(2-methoxy-4-methylphenyl)acetamide
CID 79282634
N-(2,5-dimethoxyphenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119674285
N-(2-chloro-4-cyanophenyl)-2-(2-methoxyethylamino)acetamide
CID 107807962
N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119711915
N-(2-chloro-4,5-dimethoxyphenyl)-3,3-dimethylbutanamide
CID 18139937
4-chloro-3-[[2-(2-methoxyethylamino)acetyl]amino]-N-methyl-N-propan-2-ylbenzamide
CID 119759883
N-(2-chloro-4,5-dimethoxyphenyl)acetamide
CID 60709552
N-(2,6-dichloro-4-fluorophenyl)-2-(2-methoxyethylamino)acetamide
CID 83078795
N-(2,4-dichlorophenyl)-2-(3-methoxypropylamino)acetamide
CID 54828800

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,5-dimethoxyphenyl)-2-(2-methoxyethylamino)acetamide?
The IUPAC name of N-(2-chloro-4,5-dimethoxyphenyl)-2-(2-methoxyethylamino)acetamide (CID 79281493) is N-(2-chloro-4,5-dimethoxyphenyl)-2-(2-methoxyethylamino)acetamide.
What is the SMILES notation for N-(2-chloro-4,5-dimethoxyphenyl)-2-(2-methoxyethylamino)acetamide?
The canonical SMILES for N-(2-chloro-4,5-dimethoxyphenyl)-2-(2-methoxyethylamino)acetamide is COCCNCC(=O)Nc1cc(OC)c(OC)cc1Cl.
What is the InChIKey of N-(2-chloro-4,5-dimethoxyphenyl)-2-(2-methoxyethylamino)acetamide?
The InChIKey is WRQWVROTKPFEPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O4/c1-18-5-4-15-8-13(17)16-10-7-12(20-3)11(19-2)6-9(10)14/h6-7,15H,4-5,8H2,1-3H3,(H,16,17).
What are the key properties of N-(2-chloro-4,5-dimethoxyphenyl)-2-(2-methoxyethylamino)acetamide?
N-(2-chloro-4,5-dimethoxyphenyl)-2-(2-methoxyethylamino)acetamide has a molecular weight of 302.76 g/mol, XLogP of 1.53, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,5-dimethoxyphenyl)-2-(2-methoxyethylamino)acetamide is sourced from PubChem (CID 79281493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).