2-(4-methoxy-N-methyl-3-propan-2-ylanilino)acetamide

C13H20N2O2 — CID 115259761

IUPAC2-(4-methoxy-N-methyl-3-propan-2-ylanilino)acetamide
SMILESCOc1ccc(N(C)CC(N)=O)cc1C(C)C
InChIInChI=1S/C13H20N2O2/c1-9(2)11-7-10(5-6-12(11)17-4)15(3)8-13(14)16/h5-7,9H,8H2,1-4H3,(H2,14,16)
InChIKeyJFRXPRDIYFISQI-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.74
Rot. Bonds5

About 2-(4-methoxy-N-methyl-3-propan-2-ylanilino)acetamide

2-(4-methoxy-N-methyl-3-propan-2-ylanilino)acetamide (PubChem CID 115259761) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-(4-methoxy-N-methyl-3-propan-2-ylanilino)acetamide.

Molecular Properties

Compound Name2-(4-methoxy-N-methyl-3-propan-2-ylanilino)acetamide
PubChem CID115259761
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-(4-methoxy-N-methyl-3-propan-2-ylanilino)acetamide
SMILESCOc1ccc(N(C)CC(N)=O)cc1C(C)C
InChIInChI=1S/C13H20N2O2/c1-9(2)11-7-10(5-6-12(11)17-4)15(3)8-13(14)16/h5-7,9H,8H2,1-4H3,(H2,14,16)
InChIKeyJFRXPRDIYFISQI-UHFFFAOYSA-N
XLogP1.74
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-N-(methoxymethyl)-N-methyl-3-propan-2-ylaniline
CID 115258339
(E)-4-(4-methoxy-N-methyl-3-propan-2-ylanilino)but-2-enoic acid
CID 115236974
2-hydroxy-N-(4-methoxy-3-propan-2-ylphenyl)-N-methylacetamide
CID 115139677
2-chloro-N-(4-methoxy-3-propan-2-ylphenyl)-N-methylacetamide
CID 115161877
N-(4-methoxy-3-propan-2-ylphenyl)-N,2-dimethylbutane-1,4-diamine
CID 115202419
2-N-(4-methoxy-3-propan-2-ylphenyl)-2-N,3-dimethylbutane-1,2-diamine
CID 115138007
1-(3-fluoro-4-methoxy-N-methylanilino)propan-2-one
CID 115234535
4-hydroxy-4-(4-methoxy-3-propan-2-ylphenyl)butanamide
CID 112510486
N-(2-amino-2-oxoethyl)-3,4-dimethoxy-N-methylbenzamide
CID 47210225
(4-methoxy-3-propan-2-ylphenyl)methyl 2-aminopropanoate
CID 112510480
N'-[(4-methoxy-3-propan-2-ylphenyl)methyl]oxamide
CID 115191802
5-amino-5-(4-methoxy-3-propan-2-ylphenyl)pentan-2-one
CID 116940680

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-N-methyl-3-propan-2-ylanilino)acetamide?
The IUPAC name of 2-(4-methoxy-N-methyl-3-propan-2-ylanilino)acetamide (CID 115259761) is 2-(4-methoxy-N-methyl-3-propan-2-ylanilino)acetamide.
What is the SMILES notation for 2-(4-methoxy-N-methyl-3-propan-2-ylanilino)acetamide?
The canonical SMILES for 2-(4-methoxy-N-methyl-3-propan-2-ylanilino)acetamide is COc1ccc(N(C)CC(N)=O)cc1C(C)C.
What is the InChIKey of 2-(4-methoxy-N-methyl-3-propan-2-ylanilino)acetamide?
The InChIKey is JFRXPRDIYFISQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-9(2)11-7-10(5-6-12(11)17-4)15(3)8-13(14)16/h5-7,9H,8H2,1-4H3,(H2,14,16).
What are the key properties of 2-(4-methoxy-N-methyl-3-propan-2-ylanilino)acetamide?
2-(4-methoxy-N-methyl-3-propan-2-ylanilino)acetamide has a molecular weight of 236.31 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-N-methyl-3-propan-2-ylanilino)acetamide is sourced from PubChem (CID 115259761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).