N-(3-chloro-4-methylphenyl)-3-(2-methoxyethylamino)propanamide

C13H19ClN2O2 — CID 109015255

IUPACN-(3-chloro-4-methylphenyl)-3-(2-methoxyethylamino)propanamide
SMILESCOCCNCCC(=O)Nc1ccc(C)c(Cl)c1
InChIInChI=1S/C13H19ClN2O2/c1-10-3-4-11(9-12(10)14)16-13(17)5-6-15-7-8-18-2/h3-4,9,15H,5-8H2,1-2H3,(H,16,17)
InChIKeyLTWMDEHPFZFRNG-UHFFFAOYSA-N
MW270.76 g/mol
LogP2.21
Rot. Bonds7

About N-(3-chloro-4-methylphenyl)-3-(2-methoxyethylamino)propanamide

N-(3-chloro-4-methylphenyl)-3-(2-methoxyethylamino)propanamide (PubChem CID 109015255) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-3-(2-methoxyethylamino)propanamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-3-(2-methoxyethylamino)propanamide
PubChem CID109015255
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC NameN-(3-chloro-4-methylphenyl)-3-(2-methoxyethylamino)propanamide
SMILESCOCCNCCC(=O)Nc1ccc(C)c(Cl)c1
InChIInChI=1S/C13H19ClN2O2/c1-10-3-4-11(9-12(10)14)16-13(17)5-6-15-7-8-18-2/h3-4,9,15H,5-8H2,1-2H3,(H,16,17)
InChIKeyLTWMDEHPFZFRNG-UHFFFAOYSA-N
XLogP2.21
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chloro-4-methylphenyl)-3-(2-phenylethylamino)propanamide
CID 109024309
N,N'-bis(3-chloro-4-methylphenyl)decanediamide
CID 23010647
3-(2-methoxyethylamino)-N-(4-propan-2-ylphenyl)propanamide
CID 109015241
N-(3-chloro-4-methoxyphenyl)-3-(3-chloro-4-methylanilino)propanamide
CID 109038668
N-[3-(3-chloro-4-methylanilino)-3-oxopropyl]-3,5-dimethoxybenzamide
CID 17191702
2-chloro-5-[[2-(2-methoxyethylamino)acetyl]amino]benzamide
CID 79281641
N-(3-chloro-4-propoxyphenyl)-2-(2-methoxyethylamino)acetamide
CID 79281917
N-(3-chloro-4-methylphenyl)-3-(4-ethoxyanilino)propanamide
CID 109038619
2-chloro-5-[[2-(2-methoxyethylamino)acetyl]amino]benzamide;hydrochloride
CID 119711591
N-(3-bromo-4-methylphenyl)-3-methoxypropanamide
CID 55209257
N-(3-chloro-4-propan-2-yloxyphenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 75423665
methyl 3-[3-(3-chloro-4-methylanilino)propanoylamino]benzoate
CID 109038691

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-3-(2-methoxyethylamino)propanamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-3-(2-methoxyethylamino)propanamide (CID 109015255) is N-(3-chloro-4-methylphenyl)-3-(2-methoxyethylamino)propanamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-3-(2-methoxyethylamino)propanamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-3-(2-methoxyethylamino)propanamide is COCCNCCC(=O)Nc1ccc(C)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-3-(2-methoxyethylamino)propanamide?
The InChIKey is LTWMDEHPFZFRNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2/c1-10-3-4-11(9-12(10)14)16-13(17)5-6-15-7-8-18-2/h3-4,9,15H,5-8H2,1-2H3,(H,16,17).
What are the key properties of N-(3-chloro-4-methylphenyl)-3-(2-methoxyethylamino)propanamide?
N-(3-chloro-4-methylphenyl)-3-(2-methoxyethylamino)propanamide has a molecular weight of 270.76 g/mol, XLogP of 2.21, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-3-(2-methoxyethylamino)propanamide is sourced from PubChem (CID 109015255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).