3-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-(3-methoxypropyl)propanamide

C17H25ClN2O4 — CID 113134427

IUPAC3-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)CCN(C(C)=O)c1cc(C)c(Cl)cc1OC
InChIInChI=1S/C17H25ClN2O4/c1-12-10-15(16(24-4)11-14(12)18)20(13(2)21)8-6-17(22)19-7-5-9-23-3/h10-11H,5-9H2,1-4H3,(H,19,22)
InChIKeyCKDWSHDOIAJXGT-UHFFFAOYSA-N
MW356.85 g/mol
LogP2.55
Rot. Bonds9

About 3-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-(3-methoxypropyl)propanamide

3-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-(3-methoxypropyl)propanamide (PubChem CID 113134427) has the molecular formula C17H25ClN2O4 and a molecular weight of 356.85 g/mol. Its IUPAC name is 3-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-(3-methoxypropyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-(3-methoxypropyl)propanamide
PubChem CID113134427
Molecular FormulaC17H25ClN2O4
Molecular Weight356.85 g/mol
Exact Mass356.15
IUPAC Name3-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)CCN(C(C)=O)c1cc(C)c(Cl)cc1OC
InChIInChI=1S/C17H25ClN2O4/c1-12-10-15(16(24-4)11-14(12)18)20(13(2)21)8-6-17(22)19-7-5-9-23-3/h10-11H,5-9H2,1-4H3,(H,19,22)
InChIKeyCKDWSHDOIAJXGT-UHFFFAOYSA-N
XLogP2.55
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 ≤ 52.55
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

3-(N-acetyl-2-methoxy-5-methylanilino)-N-(3-methoxypropyl)propanamide
CID 113129540
3-(N-acetyl-2-methoxyanilino)-N-(3-methoxypropyl)propanamide
CID 113128709
3-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-[(4-fluorophenyl)methyl]propanamide
CID 113134445
N-[2-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)ethyl]-2-(2-methylphenyl)acetamide
CID 113063961
3-(N-acetyl-2,3-dichloroanilino)-N-(3-methoxypropyl)propanamide
CID 113134275
3-(N-acetyl-4-bromo-2-methylanilino)-N-(3-methoxypropyl)propanamide
CID 113132737
3-(N-acetyl-5-chloro-2-methylanilino)-N-(2-methoxyethyl)propanamide
CID 113127671
N-[2-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)ethyl]-2-phenoxyacetamide
CID 113063953
3-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-(2-ethylphenyl)propanamide
CID 113134472
3-(N-acetyl-4-chloro-2-methylanilino)-N-(2-methoxyethyl)propanamide
CID 113127820
3-(N-acetyl-3-chloroanilino)-N-(3-methoxypropyl)propanamide
CID 113127189
3-(N-acetyl-2-chloro-4,6-dimethylanilino)-N-(2-methoxyethyl)propanamide
CID 113128256

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-(3-methoxypropyl)propanamide?
The IUPAC name of 3-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-(3-methoxypropyl)propanamide (CID 113134427) is 3-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-(3-methoxypropyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-(3-methoxypropyl)propanamide?
The canonical SMILES for 3-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-(3-methoxypropyl)propanamide is COCCCNC(=O)CCN(C(C)=O)c1cc(C)c(Cl)cc1OC.
What is the InChIKey of 3-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-(3-methoxypropyl)propanamide?
The InChIKey is CKDWSHDOIAJXGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O4/c1-12-10-15(16(24-4)11-14(12)18)20(13(2)21)8-6-17(22)19-7-5-9-23-3/h10-11H,5-9H2,1-4H3,(H,19,22).
What are the key properties of 3-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-(3-methoxypropyl)propanamide?
3-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-(3-methoxypropyl)propanamide has a molecular weight of 356.85 g/mol, XLogP of 2.55, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-(3-methoxypropyl)propanamide is sourced from PubChem (CID 113134427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).