3-[acetyl(3-methoxypropyl)amino]-N-(2,4-dichlorophenyl)propanamide

C15H20Cl2N2O3 — CID 113117231

IUPAC3-[acetyl(3-methoxypropyl)amino]-N-(2,4-dichlorophenyl)propanamide
SMILESCOCCCN(CCC(=O)Nc1ccc(Cl)cc1Cl)C(C)=O
InChIInChI=1S/C15H20Cl2N2O3/c1-11(20)19(7-3-9-22-2)8-6-15(21)18-14-5-4-12(16)10-13(14)17/h4-5,10H,3,6-9H2,1-2H3,(H,18,21)
InChIKeyWLYATGGMIWCSIQ-UHFFFAOYSA-N
MW347.24 g/mol
LogP3.21
Rot. Bonds8

About 3-[acetyl(3-methoxypropyl)amino]-N-(2,4-dichlorophenyl)propanamide

3-[acetyl(3-methoxypropyl)amino]-N-(2,4-dichlorophenyl)propanamide (PubChem CID 113117231) has the molecular formula C15H20Cl2N2O3 and a molecular weight of 347.24 g/mol. Its IUPAC name is 3-[acetyl(3-methoxypropyl)amino]-N-(2,4-dichlorophenyl)propanamide.

Molecular Properties

Compound Name3-[acetyl(3-methoxypropyl)amino]-N-(2,4-dichlorophenyl)propanamide
PubChem CID113117231
Molecular FormulaC15H20Cl2N2O3
Molecular Weight347.24 g/mol
Exact Mass346.09
IUPAC Name3-[acetyl(3-methoxypropyl)amino]-N-(2,4-dichlorophenyl)propanamide
SMILESCOCCCN(CCC(=O)Nc1ccc(Cl)cc1Cl)C(C)=O
InChIInChI=1S/C15H20Cl2N2O3/c1-11(20)19(7-3-9-22-2)8-6-15(21)18-14-5-4-12(16)10-13(14)17/h4-5,10H,3,6-9H2,1-2H3,(H,18,21)
InChIKeyWLYATGGMIWCSIQ-UHFFFAOYSA-N
XLogP3.21
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.24
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[acetyl(propyl)amino]-N-(2,4-dichlorophenyl)propanamide
CID 113115094
3-[acetyl(3-methoxypropyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide
CID 113117237
N-(2,4-dichlorophenyl)-3-[2-methoxyethyl(methylsulfonyl)amino]propanamide
CID 113137781
3-[acetyl(3-methoxypropyl)amino]-N-(2-ethylphenyl)propanamide
CID 113117158
3-[acetyl(3-methoxypropyl)amino]-N-[(4-chlorophenyl)methyl]propanamide
CID 113117098
methyl 2-[3-[acetyl(3-methoxypropyl)amino]propanoylamino]benzoate
CID 113117202
N-(2,4-dichlorophenyl)-2-(3-methoxypropylamino)acetamide
CID 54828800
3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(2,5-dichlorophenyl)propanamide
CID 113117624
methyl 4-(2,4-dichloroanilino)-4-oxobutanoate
CID 823383
3-[acetyl(butyl)amino]-N-[4-chloro-2-(trifluoromethyl)phenyl]propanamide
CID 113115887
N-(2,4-dichlorophenyl)-2-methoxyacetamide
CID 885676
3-[acetyl(3-methoxypropyl)amino]-N-(2,6-diethylphenyl)propanamide
CID 113117165

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(3-methoxypropyl)amino]-N-(2,4-dichlorophenyl)propanamide?
The IUPAC name of 3-[acetyl(3-methoxypropyl)amino]-N-(2,4-dichlorophenyl)propanamide (CID 113117231) is 3-[acetyl(3-methoxypropyl)amino]-N-(2,4-dichlorophenyl)propanamide.
What is the SMILES notation for 3-[acetyl(3-methoxypropyl)amino]-N-(2,4-dichlorophenyl)propanamide?
The canonical SMILES for 3-[acetyl(3-methoxypropyl)amino]-N-(2,4-dichlorophenyl)propanamide is COCCCN(CCC(=O)Nc1ccc(Cl)cc1Cl)C(C)=O.
What is the InChIKey of 3-[acetyl(3-methoxypropyl)amino]-N-(2,4-dichlorophenyl)propanamide?
The InChIKey is WLYATGGMIWCSIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N2O3/c1-11(20)19(7-3-9-22-2)8-6-15(21)18-14-5-4-12(16)10-13(14)17/h4-5,10H,3,6-9H2,1-2H3,(H,18,21).
What are the key properties of 3-[acetyl(3-methoxypropyl)amino]-N-(2,4-dichlorophenyl)propanamide?
3-[acetyl(3-methoxypropyl)amino]-N-(2,4-dichlorophenyl)propanamide has a molecular weight of 347.24 g/mol, XLogP of 3.21, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(3-methoxypropyl)amino]-N-(2,4-dichlorophenyl)propanamide is sourced from PubChem (CID 113117231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).