2-[acetyl(2-methoxyethyl)amino]-N-[(4-methylphenyl)methyl]acetamide

C15H22N2O3 — CID 113159818

IUPAC2-[acetyl(2-methoxyethyl)amino]-N-[(4-methylphenyl)methyl]acetamide
SMILESCOCCN(CC(=O)NCc1ccc(C)cc1)C(C)=O
InChIInChI=1S/C15H22N2O3/c1-12-4-6-14(7-5-12)10-16-15(19)11-17(13(2)18)8-9-20-3/h4-7H,8-11H2,1-3H3,(H,16,19)
InChIKeyQAPAIHUMZDDTQS-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.11
Rot. Bonds7

About 2-[acetyl(2-methoxyethyl)amino]-N-[(4-methylphenyl)methyl]acetamide

2-[acetyl(2-methoxyethyl)amino]-N-[(4-methylphenyl)methyl]acetamide (PubChem CID 113159818) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-[acetyl(2-methoxyethyl)amino]-N-[(4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[acetyl(2-methoxyethyl)amino]-N-[(4-methylphenyl)methyl]acetamide
PubChem CID113159818
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-[acetyl(2-methoxyethyl)amino]-N-[(4-methylphenyl)methyl]acetamide
SMILESCOCCN(CC(=O)NCc1ccc(C)cc1)C(C)=O
InChIInChI=1S/C15H22N2O3/c1-12-4-6-14(7-5-12)10-16-15(19)11-17(13(2)18)8-9-20-3/h4-7H,8-11H2,1-3H3,(H,16,19)
InChIKeyQAPAIHUMZDDTQS-UHFFFAOYSA-N
XLogP1.11
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[acetyl-[(4-methylphenyl)methyl]amino]-N-[(4-methylphenyl)methyl]acetamide
CID 113161771
2-[acetyl-[(4-fluorophenyl)methyl]amino]-N-[(4-methylphenyl)methyl]acetamide
CID 113162350
2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-[(4-methylphenyl)methyl]acetamide
CID 62014386
N-(2-methoxyethyl)-4-methyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 3622960
3-[methyl-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]amino]propanoic acid
CID 60988089
3-[acetyl(benzyl)amino]-N-[(4-methylphenyl)methyl]propanamide
CID 113118207
3-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-[(4-methylphenyl)methyl]propanamide
CID 113122053
3-(N-acetyl-4-methoxyanilino)-N-[(4-methylphenyl)methyl]propanamide
CID 113129069
2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 113160440
3-[acetyl(3-methoxypropyl)amino]-N-[(4-chlorophenyl)methyl]propanamide
CID 113117098
N'-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N'-(2-methoxyethyl)-N-(4-methyl-2-pyridinyl)butanediamide
CID 3713804
3-[(4-fluorophenyl)methyl]-1,1-bis(2-methoxyethyl)urea
CID 44756384

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(2-methoxyethyl)amino]-N-[(4-methylphenyl)methyl]acetamide?
The IUPAC name of 2-[acetyl(2-methoxyethyl)amino]-N-[(4-methylphenyl)methyl]acetamide (CID 113159818) is 2-[acetyl(2-methoxyethyl)amino]-N-[(4-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[acetyl(2-methoxyethyl)amino]-N-[(4-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-[acetyl(2-methoxyethyl)amino]-N-[(4-methylphenyl)methyl]acetamide is COCCN(CC(=O)NCc1ccc(C)cc1)C(C)=O.
What is the InChIKey of 2-[acetyl(2-methoxyethyl)amino]-N-[(4-methylphenyl)methyl]acetamide?
The InChIKey is QAPAIHUMZDDTQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-12-4-6-14(7-5-12)10-16-15(19)11-17(13(2)18)8-9-20-3/h4-7H,8-11H2,1-3H3,(H,16,19).
What are the key properties of 2-[acetyl(2-methoxyethyl)amino]-N-[(4-methylphenyl)methyl]acetamide?
2-[acetyl(2-methoxyethyl)amino]-N-[(4-methylphenyl)methyl]acetamide has a molecular weight of 278.35 g/mol, XLogP of 1.11, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(2-methoxyethyl)amino]-N-[(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 113159818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).