3-[acetyl(3-methoxypropyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide

C17H25ClN2O4 — CID 113117237

IUPAC3-[acetyl(3-methoxypropyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide
SMILESCOCCCN(CCC(=O)Nc1cc(C)c(Cl)cc1OC)C(C)=O
InChIInChI=1S/C17H25ClN2O4/c1-12-10-15(16(24-4)11-14(12)18)19-17(22)6-8-20(13(2)21)7-5-9-23-3/h10-11H,5-9H2,1-4H3,(H,19,22)
InChIKeyIHQZMASRHLMMBI-UHFFFAOYSA-N
MW356.85 g/mol
LogP2.87
Rot. Bonds9

About 3-[acetyl(3-methoxypropyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide

3-[acetyl(3-methoxypropyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide (PubChem CID 113117237) has the molecular formula C17H25ClN2O4 and a molecular weight of 356.85 g/mol. Its IUPAC name is 3-[acetyl(3-methoxypropyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide.

Molecular Properties

Compound Name3-[acetyl(3-methoxypropyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide
PubChem CID113117237
Molecular FormulaC17H25ClN2O4
Molecular Weight356.85 g/mol
Exact Mass356.15
IUPAC Name3-[acetyl(3-methoxypropyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide
SMILESCOCCCN(CCC(=O)Nc1cc(C)c(Cl)cc1OC)C(C)=O
InChIInChI=1S/C17H25ClN2O4/c1-12-10-15(16(24-4)11-14(12)18)19-17(22)6-8-20(13(2)21)7-5-9-23-3/h10-11H,5-9H2,1-4H3,(H,19,22)
InChIKeyIHQZMASRHLMMBI-UHFFFAOYSA-N
XLogP2.87
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.85
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[acetyl(2-methoxyethyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 113159978
2-[acetyl(butyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 113158798
2-[acetyl-[3-(dimethylamino)propyl]amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 113160948
3-[acetyl(3-methoxypropyl)amino]-N-(2,4-dichlorophenyl)propanamide
CID 113117231
3-[acetyl-[(3-methylphenyl)methyl]amino]-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide
CID 113118705
2-[acetyl(propyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 113158086
N-(4-chloro-2-methoxy-5-methylphenyl)-4-oxopentanamide
CID 60637672
2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 113160569
3-[acetyl(pyridin-3-ylmethyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide
CID 113120522
3-(N-acetyl-3,4-dimethylanilino)-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide
CID 113124622
N-(4-chloro-2-methoxy-5-methylphenyl)-5-hydroxypentanamide
CID 79018979
2-[acetyl(2-methylpropyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 113158996

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(3-methoxypropyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide?
The IUPAC name of 3-[acetyl(3-methoxypropyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide (CID 113117237) is 3-[acetyl(3-methoxypropyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide.
What is the SMILES notation for 3-[acetyl(3-methoxypropyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide?
The canonical SMILES for 3-[acetyl(3-methoxypropyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide is COCCCN(CCC(=O)Nc1cc(C)c(Cl)cc1OC)C(C)=O.
What is the InChIKey of 3-[acetyl(3-methoxypropyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide?
The InChIKey is IHQZMASRHLMMBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O4/c1-12-10-15(16(24-4)11-14(12)18)19-17(22)6-8-20(13(2)21)7-5-9-23-3/h10-11H,5-9H2,1-4H3,(H,19,22).
What are the key properties of 3-[acetyl(3-methoxypropyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide?
3-[acetyl(3-methoxypropyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide has a molecular weight of 356.85 g/mol, XLogP of 2.87, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(3-methoxypropyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide is sourced from PubChem (CID 113117237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).