N-[(4-methoxy-3-propan-2-ylphenyl)methyl]-N-methyl-2-oxoacetamide

C14H19NO3 — CID 115166361

IUPACN-[(4-methoxy-3-propan-2-ylphenyl)methyl]-N-methyl-2-oxoacetamide
SMILESCOc1ccc(CN(C)C(=O)C=O)cc1C(C)C
InChIInChI=1S/C14H19NO3/c1-10(2)12-7-11(5-6-13(12)18-4)8-15(3)14(17)9-16/h5-7,9-10H,8H2,1-4H3
InChIKeyGFSPGELRJABNPI-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.98
Rot. Bonds5

About N-[(4-methoxy-3-propan-2-ylphenyl)methyl]-N-methyl-2-oxoacetamide

N-[(4-methoxy-3-propan-2-ylphenyl)methyl]-N-methyl-2-oxoacetamide (PubChem CID 115166361) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-[(4-methoxy-3-propan-2-ylphenyl)methyl]-N-methyl-2-oxoacetamide.

Molecular Properties

Compound NameN-[(4-methoxy-3-propan-2-ylphenyl)methyl]-N-methyl-2-oxoacetamide
PubChem CID115166361
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC NameN-[(4-methoxy-3-propan-2-ylphenyl)methyl]-N-methyl-2-oxoacetamide
SMILESCOc1ccc(CN(C)C(=O)C=O)cc1C(C)C
InChIInChI=1S/C14H19NO3/c1-10(2)12-7-11(5-6-13(12)18-4)8-15(3)14(17)9-16/h5-7,9-10H,8H2,1-4H3
InChIKeyGFSPGELRJABNPI-UHFFFAOYSA-N
XLogP1.98
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[(3,4-dimethylphenyl)methyl]-N-methyl-2-oxoacetamide
CID 115166333
4-[(4-methoxy-3-propan-2-ylphenyl)methyl-methylamino]butan-1-ol
CID 115217660
1-[(4-methoxy-3-propan-2-ylphenyl)methyl-methylamino]-2-methylpropan-2-ol
CID 115136999
3-chloro-N-[(4-methoxy-3-propan-2-ylphenyl)methyl]-N-methylpropan-1-amine
CID 115215710
N-[(3,4-dimethoxyphenyl)methyl]-N,2-dimethylpropanamide
CID 60628303
N-[(3-chloro-4-fluorophenyl)methyl]-N-methyl-2-oxoacetamide
CID 115166420
2-(4-methoxy-3-propan-2-ylphenyl)-2-oxoacetaldehyde
CID 82645508
N-[(3-chloro-4-methoxyphenyl)methyl]-2-hydroxy-N-methylpropanamide
CID 115140765
N-methyl-N-[(6-methylnaphthalen-2-yl)methyl]-2-oxoacetamide
CID 115166473
methyl 2-[(4-methoxy-3-propan-2-ylphenyl)methylamino]acetate
CID 115232859
N-[(4-butan-2-ylphenyl)methyl]-N-methyl-2-oxoacetamide
CID 115166354
(4-methoxy-3-propan-2-ylphenyl)methyl 2-aminopropanoate
CID 112510480

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-3-propan-2-ylphenyl)methyl]-N-methyl-2-oxoacetamide?
The IUPAC name of N-[(4-methoxy-3-propan-2-ylphenyl)methyl]-N-methyl-2-oxoacetamide (CID 115166361) is N-[(4-methoxy-3-propan-2-ylphenyl)methyl]-N-methyl-2-oxoacetamide.
What is the SMILES notation for N-[(4-methoxy-3-propan-2-ylphenyl)methyl]-N-methyl-2-oxoacetamide?
The canonical SMILES for N-[(4-methoxy-3-propan-2-ylphenyl)methyl]-N-methyl-2-oxoacetamide is COc1ccc(CN(C)C(=O)C=O)cc1C(C)C.
What is the InChIKey of N-[(4-methoxy-3-propan-2-ylphenyl)methyl]-N-methyl-2-oxoacetamide?
The InChIKey is GFSPGELRJABNPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-10(2)12-7-11(5-6-13(12)18-4)8-15(3)14(17)9-16/h5-7,9-10H,8H2,1-4H3.
What are the key properties of N-[(4-methoxy-3-propan-2-ylphenyl)methyl]-N-methyl-2-oxoacetamide?
N-[(4-methoxy-3-propan-2-ylphenyl)methyl]-N-methyl-2-oxoacetamide has a molecular weight of 249.31 g/mol, XLogP of 1.98, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-3-propan-2-ylphenyl)methyl]-N-methyl-2-oxoacetamide is sourced from PubChem (CID 115166361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).