3-(N-acetyl-2-ethyl-6-methylanilino)-N-(2-methoxyethyl)propanamide

C17H26N2O3 — CID 113125511

IUPAC3-(N-acetyl-2-ethyl-6-methylanilino)-N-(2-methoxyethyl)propanamide
SMILESCCc1cccc(C)c1N(CCC(=O)NCCOC)C(C)=O
InChIInChI=1S/C17H26N2O3/c1-5-15-8-6-7-13(2)17(15)19(14(3)20)11-9-16(21)18-10-12-22-4/h6-8H,5,9-12H2,1-4H3,(H,18,21)
InChIKeyHJEZTPYYHKYEFI-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.06
Rot. Bonds8

About 3-(N-acetyl-2-ethyl-6-methylanilino)-N-(2-methoxyethyl)propanamide

3-(N-acetyl-2-ethyl-6-methylanilino)-N-(2-methoxyethyl)propanamide (PubChem CID 113125511) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 3-(N-acetyl-2-ethyl-6-methylanilino)-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-2-ethyl-6-methylanilino)-N-(2-methoxyethyl)propanamide
PubChem CID113125511
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name3-(N-acetyl-2-ethyl-6-methylanilino)-N-(2-methoxyethyl)propanamide
SMILESCCc1cccc(C)c1N(CCC(=O)NCCOC)C(C)=O
InChIInChI=1S/C17H26N2O3/c1-5-15-8-6-7-13(2)17(15)19(14(3)20)11-9-16(21)18-10-12-22-4/h6-8H,5,9-12H2,1-4H3,(H,18,21)
InChIKeyHJEZTPYYHKYEFI-UHFFFAOYSA-N
XLogP2.06
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.06
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-2-ethyl-6-methylanilino)-N-[(2-chlorophenyl)methyl]propanamide
CID 113125531
N-[2-(N-acetyl-2,6-diethylanilino)ethyl]-2-(2-methylphenyl)acetamide
CID 113058904
N-(3-acetamidophenyl)-3-(N-acetyl-2-ethyl-6-methylanilino)propanamide
CID 113125623
3-(N-acetyl-2-chloro-4,6-dimethylanilino)-N-(2-methoxyethyl)propanamide
CID 113128256
3-(N-acetyl-2,6-dimethylanilino)-N-[(2-methylphenyl)methyl]propanamide
CID 113124832
3-(N-acetyl-2-ethyl-6-methylanilino)-N-(pyridin-3-ylmethyl)propanamide
CID 113125538
3-(N-acetyl-2,6-dimethylanilino)-N-[3-(dimethylamino)propyl]propanamide
CID 113124825
N-[2-(N-acetyl-2-ethyl-6-methylanilino)ethyl]-4-methylbenzamide
CID 113058508
3-(N-acetyl-5-chloro-2-methylanilino)-N-(2-methoxyethyl)propanamide
CID 113127671
3-(N-acetyl-3-chloroanilino)-N-(2-methoxyethyl)propanamide
CID 113127188
2-(N-acetyl-2-ethylanilino)-N-(2-methoxyethyl)acetamide
CID 113169024
3-(N-acetyl-4-chloro-2-methylanilino)-N-(2-methoxyethyl)propanamide
CID 113127820

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-2-ethyl-6-methylanilino)-N-(2-methoxyethyl)propanamide?
The IUPAC name of 3-(N-acetyl-2-ethyl-6-methylanilino)-N-(2-methoxyethyl)propanamide (CID 113125511) is 3-(N-acetyl-2-ethyl-6-methylanilino)-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-2-ethyl-6-methylanilino)-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 3-(N-acetyl-2-ethyl-6-methylanilino)-N-(2-methoxyethyl)propanamide is CCc1cccc(C)c1N(CCC(=O)NCCOC)C(C)=O.
What is the InChIKey of 3-(N-acetyl-2-ethyl-6-methylanilino)-N-(2-methoxyethyl)propanamide?
The InChIKey is HJEZTPYYHKYEFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-5-15-8-6-7-13(2)17(15)19(14(3)20)11-9-16(21)18-10-12-22-4/h6-8H,5,9-12H2,1-4H3,(H,18,21).
What are the key properties of 3-(N-acetyl-2-ethyl-6-methylanilino)-N-(2-methoxyethyl)propanamide?
3-(N-acetyl-2-ethyl-6-methylanilino)-N-(2-methoxyethyl)propanamide has a molecular weight of 306.41 g/mol, XLogP of 2.06, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-2-ethyl-6-methylanilino)-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 113125511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).