3-(N-acetyl-2-chloro-4,6-dimethylanilino)-N-(2-methoxyethyl)propanamide

C16H23ClN2O3 — CID 113128256

IUPAC3-(N-acetyl-2-chloro-4,6-dimethylanilino)-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)CCN(C(C)=O)c1c(C)cc(C)cc1Cl
InChIInChI=1S/C16H23ClN2O3/c1-11-9-12(2)16(14(17)10-11)19(13(3)20)7-5-15(21)18-6-8-22-4/h9-10H,5-8H2,1-4H3,(H,18,21)
InChIKeyYTVPOWJAOYCHTP-UHFFFAOYSA-N
MW326.82 g/mol
LogP2.46
Rot. Bonds7

About 3-(N-acetyl-2-chloro-4,6-dimethylanilino)-N-(2-methoxyethyl)propanamide

3-(N-acetyl-2-chloro-4,6-dimethylanilino)-N-(2-methoxyethyl)propanamide (PubChem CID 113128256) has the molecular formula C16H23ClN2O3 and a molecular weight of 326.82 g/mol. Its IUPAC name is 3-(N-acetyl-2-chloro-4,6-dimethylanilino)-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-2-chloro-4,6-dimethylanilino)-N-(2-methoxyethyl)propanamide
PubChem CID113128256
Molecular FormulaC16H23ClN2O3
Molecular Weight326.82 g/mol
Exact Mass326.14
IUPAC Name3-(N-acetyl-2-chloro-4,6-dimethylanilino)-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)CCN(C(C)=O)c1c(C)cc(C)cc1Cl
InChIInChI=1S/C16H23ClN2O3/c1-11-9-12(2)16(14(17)10-11)19(13(3)20)7-5-15(21)18-6-8-22-4/h9-10H,5-8H2,1-4H3,(H,18,21)
InChIKeyYTVPOWJAOYCHTP-UHFFFAOYSA-N
XLogP2.46
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.82
LogP ≤ 52.46
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-(N-acetyl-5-chloro-2-methylanilino)-N-(2-methoxyethyl)propanamide
CID 113127671
3-(N-acetyl-4-chloro-2-methylanilino)-N-(2-methoxyethyl)propanamide
CID 113127820
3-(N-acetyl-2,4,6-trimethylanilino)-N-[2-(dimethylamino)ethyl]propanamide
CID 113125984
3-(N-acetyl-2-ethyl-6-methylanilino)-N-(2-methoxyethyl)propanamide
CID 113125511
N-[2-(N-acetyl-2-chloro-4,6-dimethylanilino)ethyl]-2-(4-fluorophenyl)acetamide
CID 113060159
3-(N-acetyl-3-chloroanilino)-N-(2-methoxyethyl)propanamide
CID 113127188
3-(N-acetyl-2,4,6-trimethylanilino)-N-pentylpropanamide
CID 113126035
3-(N-acetyl-2-chloro-4,6-dimethylanilino)-N-(4-chloro-2-methylphenyl)propanamide
CID 113128327
N-[2-(N-acetyl-2-chloro-4,6-dimethylanilino)ethyl]-4-chlorobenzamide
CID 113060167
3-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-(3-methoxypropyl)propanamide
CID 113134427
3-(N-acetyl-4-bromo-2-methylanilino)-N-(3-methoxypropyl)propanamide
CID 113132737
3-(N-acetyl-4-methoxyanilino)-N-(2-methoxyethyl)propanamide
CID 113129054

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-2-chloro-4,6-dimethylanilino)-N-(2-methoxyethyl)propanamide?
The IUPAC name of 3-(N-acetyl-2-chloro-4,6-dimethylanilino)-N-(2-methoxyethyl)propanamide (CID 113128256) is 3-(N-acetyl-2-chloro-4,6-dimethylanilino)-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-2-chloro-4,6-dimethylanilino)-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 3-(N-acetyl-2-chloro-4,6-dimethylanilino)-N-(2-methoxyethyl)propanamide is COCCNC(=O)CCN(C(C)=O)c1c(C)cc(C)cc1Cl.
What is the InChIKey of 3-(N-acetyl-2-chloro-4,6-dimethylanilino)-N-(2-methoxyethyl)propanamide?
The InChIKey is YTVPOWJAOYCHTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O3/c1-11-9-12(2)16(14(17)10-11)19(13(3)20)7-5-15(21)18-6-8-22-4/h9-10H,5-8H2,1-4H3,(H,18,21).
What are the key properties of 3-(N-acetyl-2-chloro-4,6-dimethylanilino)-N-(2-methoxyethyl)propanamide?
3-(N-acetyl-2-chloro-4,6-dimethylanilino)-N-(2-methoxyethyl)propanamide has a molecular weight of 326.82 g/mol, XLogP of 2.46, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-2-chloro-4,6-dimethylanilino)-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 113128256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).