2-(4-methoxyphenyl)-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylacetamide

C16H24N2O4 — CID 51307828

IUPAC2-(4-methoxyphenyl)-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylacetamide
SMILESCOCCCNC(=O)CN(C)C(=O)Cc1ccc(OC)cc1
InChIInChI=1S/C16H24N2O4/c1-18(12-15(19)17-9-4-10-21-2)16(20)11-13-5-7-14(22-3)8-6-13/h5-8H,4,9-12H2,1-3H3,(H,17,19)
InChIKeyHAOZIDAFWXOOFR-UHFFFAOYSA-N
MW308.38 g/mol
LogP0.85
Rot. Bonds9

About 2-(4-methoxyphenyl)-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylacetamide

2-(4-methoxyphenyl)-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylacetamide (PubChem CID 51307828) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylacetamide
PubChem CID51307828
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC Name2-(4-methoxyphenyl)-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylacetamide
SMILESCOCCCNC(=O)CN(C)C(=O)Cc1ccc(OC)cc1
InChIInChI=1S/C16H24N2O4/c1-18(12-15(19)17-9-4-10-21-2)16(20)11-13-5-7-14(22-3)8-6-13/h5-8H,4,9-12H2,1-3H3,(H,17,19)
InChIKeyHAOZIDAFWXOOFR-UHFFFAOYSA-N
XLogP0.85
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 50.85
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-(4-methoxyphenyl)-N-(3-methoxypropylcarbamothioyl)acetamide
CID 17140180
N-(3-iodopropyl)-2-(4-methoxyphenyl)acetamide
CID 114504350
4-(aminomethyl)-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylbenzamide
CID 60953453
N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-2-(methylamino)acetamide
CID 60954160
N-(3-methoxypropyl)-2-(4-propan-2-ylphenyl)acetamide
CID 110766794
N-hexyl-2-(4-methoxyphenyl)acetamide
CID 3649296
5-bromo-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 51307832
N-(5-bromopentyl)-2-(4-methoxyphenyl)acetamide
CID 107321925
N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,2-dimethylpropanamide
CID 60707643
2-(3-aminophenyl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylacetamide
CID 62499845
6-[[2-(3-methoxypropylamino)-2-oxoethyl]-methylamino]-6-oxohexanoic acid
CID 60951961
N-[2-[acetyl(2-methoxyethyl)amino]ethyl]-2-(4-methoxyphenyl)acetamide
CID 113053170

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylacetamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylacetamide (CID 51307828) is 2-(4-methoxyphenyl)-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylacetamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylacetamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylacetamide is COCCCNC(=O)CN(C)C(=O)Cc1ccc(OC)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylacetamide?
The InChIKey is HAOZIDAFWXOOFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4/c1-18(12-15(19)17-9-4-10-21-2)16(20)11-13-5-7-14(22-3)8-6-13/h5-8H,4,9-12H2,1-3H3,(H,17,19).
What are the key properties of 2-(4-methoxyphenyl)-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylacetamide?
2-(4-methoxyphenyl)-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylacetamide has a molecular weight of 308.38 g/mol, XLogP of 0.85, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylacetamide is sourced from PubChem (CID 51307828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).