2-(5-chloro-2,4-dimethoxyanilino)-N-(2-methoxyethyl)propanamide

C14H21ClN2O4 — CID 43088875

IUPAC2-(5-chloro-2,4-dimethoxyanilino)-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(C)Nc1cc(Cl)c(OC)cc1OC
InChIInChI=1S/C14H21ClN2O4/c1-9(14(18)16-5-6-19-2)17-11-7-10(15)12(20-3)8-13(11)21-4/h7-9,17H,5-6H2,1-4H3,(H,16,18)
InChIKeyLBQWTKGKEUJFPU-UHFFFAOYSA-N
MW316.79 g/mol
LogP1.92
Rot. Bonds8

About 2-(5-chloro-2,4-dimethoxyanilino)-N-(2-methoxyethyl)propanamide

2-(5-chloro-2,4-dimethoxyanilino)-N-(2-methoxyethyl)propanamide (PubChem CID 43088875) has the molecular formula C14H21ClN2O4 and a molecular weight of 316.79 g/mol. Its IUPAC name is 2-(5-chloro-2,4-dimethoxyanilino)-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name2-(5-chloro-2,4-dimethoxyanilino)-N-(2-methoxyethyl)propanamide
PubChem CID43088875
Molecular FormulaC14H21ClN2O4
Molecular Weight316.79 g/mol
Exact Mass316.12
IUPAC Name2-(5-chloro-2,4-dimethoxyanilino)-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(C)Nc1cc(Cl)c(OC)cc1OC
InChIInChI=1S/C14H21ClN2O4/c1-9(14(18)16-5-6-19-2)17-11-7-10(15)12(20-3)8-13(11)21-4/h7-9,17H,5-6H2,1-4H3,(H,16,18)
InChIKeyLBQWTKGKEUJFPU-UHFFFAOYSA-N
XLogP1.92
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(5-chloro-2,4-dimethoxyanilino)-N-methylpropanamide
CID 43085511
(2R)-N-(4-acetamidophenyl)-2-(5-chloro-2,4-dimethoxyanilino)propanamide
CID 7831164
(2S)-2-(5-chloro-2,4-dimethoxyanilino)-N-(4-methoxyphenyl)propanamide
CID 35960377
2-(4-chloro-2,5-dimethoxyanilino)-N-[(4-methoxyphenyl)methyl]propanamide
CID 4883000
(2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-(5-chloro-2,4-dimethoxyanilino)propanamide
CID 8008872
(2R)-2-(5-chloro-2,4-dimethoxyanilino)-N-[(1R)-1-phenylethyl]propanamide
CID 8762076
2-(2,6-dichloro-4-nitroanilino)-N-(2-methoxyethyl)propanamide
CID 106891666
(2S)-N-(2-acetylphenyl)-2-(5-chloro-2,4-dimethoxyanilino)propanamide
CID 35960485
2-(5-bromo-2-chloroanilino)-N-(3-methoxypropyl)propanamide
CID 55132443
N-(5-chloro-2,4-dimethoxyphenyl)-2-(methylamino)propanamide
CID 62639099
2-[[3,5-dichloro-6-(methylamino)-2-pyridinyl]amino]-N-(2-methoxyethyl)propanamide
CID 102759668
(2S)-2-(5-chloro-2,4-dimethoxyanilino)-N-(4-sulfamoylphenyl)propanamide
CID 8008354

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2,4-dimethoxyanilino)-N-(2-methoxyethyl)propanamide?
The IUPAC name of 2-(5-chloro-2,4-dimethoxyanilino)-N-(2-methoxyethyl)propanamide (CID 43088875) is 2-(5-chloro-2,4-dimethoxyanilino)-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 2-(5-chloro-2,4-dimethoxyanilino)-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 2-(5-chloro-2,4-dimethoxyanilino)-N-(2-methoxyethyl)propanamide is COCCNC(=O)C(C)Nc1cc(Cl)c(OC)cc1OC.
What is the InChIKey of 2-(5-chloro-2,4-dimethoxyanilino)-N-(2-methoxyethyl)propanamide?
The InChIKey is LBQWTKGKEUJFPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O4/c1-9(14(18)16-5-6-19-2)17-11-7-10(15)12(20-3)8-13(11)21-4/h7-9,17H,5-6H2,1-4H3,(H,16,18).
What are the key properties of 2-(5-chloro-2,4-dimethoxyanilino)-N-(2-methoxyethyl)propanamide?
2-(5-chloro-2,4-dimethoxyanilino)-N-(2-methoxyethyl)propanamide has a molecular weight of 316.79 g/mol, XLogP of 1.92, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2,4-dimethoxyanilino)-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 43088875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).