N-(2-methoxyethyl)-2-oxo-2-(4-propan-2-ylphenyl)acetamide

C14H19NO3 — CID 94268074

IUPACN-(2-methoxyethyl)-2-oxo-2-(4-propan-2-ylphenyl)acetamide
SMILESCOCCNC(=O)C(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C14H19NO3/c1-10(2)11-4-6-12(7-5-11)13(16)14(17)15-8-9-18-3/h4-7,10H,8-9H2,1-3H3,(H,15,17)
InChIKeyKWGMIBQVJROYIP-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.76
Rot. Bonds6

About N-(2-methoxyethyl)-2-oxo-2-(4-propan-2-ylphenyl)acetamide

N-(2-methoxyethyl)-2-oxo-2-(4-propan-2-ylphenyl)acetamide (PubChem CID 94268074) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-oxo-2-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-oxo-2-(4-propan-2-ylphenyl)acetamide
PubChem CID94268074
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC NameN-(2-methoxyethyl)-2-oxo-2-(4-propan-2-ylphenyl)acetamide
SMILESCOCCNC(=O)C(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C14H19NO3/c1-10(2)11-4-6-12(7-5-11)13(16)14(17)15-8-9-18-3/h4-7,10H,8-9H2,1-3H3,(H,15,17)
InChIKeyKWGMIBQVJROYIP-UHFFFAOYSA-N
XLogP1.76
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(dimethylamino)ethyl]-2-oxo-2-(4-propan-2-ylphenyl)acetamide
CID 94274700
[2-(2-methoxyethylamino)-2-oxoethyl] 4-propan-2-ylbenzoate
CID 2505375
2-(3-chloro-4-methoxyphenyl)-N-(2-methoxyethyl)-2-oxoacetamide
CID 94281483
N-(3-methoxypropyl)-N'-(4-propan-2-ylphenyl)oxamide
CID 624152
N-(2-methoxyethyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 2927461
N-(2-methoxyethyl)-6-(4-propan-2-ylanilino)pyridine-3-carboxamide
CID 109153038
N-(3-chloro-4-methoxybutyl)-4-propan-2-ylbenzamide
CID 106244057
N-[2-[[2-(2-methoxyethoxy)acetyl]amino]ethyl]-4-propan-2-ylbenzamide
CID 108574844
methyl 2-[(4-propan-2-ylbenzoyl)amino]acetate
CID 43404732
N-(3-methoxypropyl)-2-(4-propan-2-ylphenyl)acetamide
CID 110766794
2-(2-methoxyethylamino)-N-[2-(4-propan-2-ylphenoxy)ethyl]acetamide
CID 119735524
4-chloro-N-(2-methoxyethyl)benzamide
CID 3457742

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-oxo-2-(4-propan-2-ylphenyl)acetamide?
The IUPAC name of N-(2-methoxyethyl)-2-oxo-2-(4-propan-2-ylphenyl)acetamide (CID 94268074) is N-(2-methoxyethyl)-2-oxo-2-(4-propan-2-ylphenyl)acetamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-oxo-2-(4-propan-2-ylphenyl)acetamide?
The canonical SMILES for N-(2-methoxyethyl)-2-oxo-2-(4-propan-2-ylphenyl)acetamide is COCCNC(=O)C(=O)c1ccc(C(C)C)cc1.
What is the InChIKey of N-(2-methoxyethyl)-2-oxo-2-(4-propan-2-ylphenyl)acetamide?
The InChIKey is KWGMIBQVJROYIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-10(2)11-4-6-12(7-5-11)13(16)14(17)15-8-9-18-3/h4-7,10H,8-9H2,1-3H3,(H,15,17).
What are the key properties of N-(2-methoxyethyl)-2-oxo-2-(4-propan-2-ylphenyl)acetamide?
N-(2-methoxyethyl)-2-oxo-2-(4-propan-2-ylphenyl)acetamide has a molecular weight of 249.31 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-oxo-2-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 94268074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).