2-(4-ethylphenyl)-N-methoxy-N-methylacetamide

C12H17NO2 — CID 89040835

IUPAC2-(4-ethylphenyl)-N-methoxy-N-methylacetamide
SMILESCCc1ccc(CC(=O)N(C)OC)cc1
InChIInChI=1S/C12H17NO2/c1-4-10-5-7-11(8-6-10)9-12(14)13(2)15-3/h5-8H,4,9H2,1-3H3
InChIKeyRYPDZILHRKJYTD-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.81
Rot. Bonds4

About 2-(4-ethylphenyl)-N-methoxy-N-methylacetamide

2-(4-ethylphenyl)-N-methoxy-N-methylacetamide (PubChem CID 89040835) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-N-methoxy-N-methylacetamide.

Molecular Properties

Compound Name2-(4-ethylphenyl)-N-methoxy-N-methylacetamide
PubChem CID89040835
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name2-(4-ethylphenyl)-N-methoxy-N-methylacetamide
SMILESCCc1ccc(CC(=O)N(C)OC)cc1
InChIInChI=1S/C12H17NO2/c1-4-10-5-7-11(8-6-10)9-12(14)13(2)15-3/h5-8H,4,9H2,1-3H3
InChIKeyRYPDZILHRKJYTD-UHFFFAOYSA-N
XLogP1.81
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(3-ethylphenyl)-N-methoxy-N-methylacetamide
CID 87253905
tert-butyl 4-[2-[methoxy(methyl)amino]-2-oxoethyl]benzoate
CID 59331582
tert-butyl N-[4-[2-[methoxy(methyl)amino]-2-oxoethyl]phenyl]carbamate
CID 131868653
N-methoxy-N-methyl-2-[4-(2,2,2-trifluoroethylsulfonyl)phenyl]acetamide
CID 56806428
N-methoxy-N-methyl-2-pyrimidin-5-ylacetamide
CID 126580516
2-[4-amino-3-(aminomethyl)phenyl]-N-methoxy-N-methylacetamide
CID 174908949
lithium;alumane;2-(4-fluorophenyl)acetaldehyde;2-(4-fluorophenyl)-N-methoxy-N-methylacetamide;hydride;methane
CID 158240272
N-[(3,4-dimethoxyphenyl)methyl]-2-(4-ethylphenyl)-N-methylacetamide
CID 100741439
2-(3-benzylphenyl)-N-methoxy-N-methylacetamide
CID 131737866
1-(dimethylamino)-3-(4-ethylphenyl)propan-2-one
CID 79077220
2-(1,3-benzothiazol-6-yl)-N-methoxy-N-methylacetamide
CID 86084701
2-(3-fluoro-4-trimethylsilyloxyphenyl)-N-methoxy-N-methylacetamide
CID 19043704

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-N-methoxy-N-methylacetamide?
The IUPAC name of 2-(4-ethylphenyl)-N-methoxy-N-methylacetamide (CID 89040835) is 2-(4-ethylphenyl)-N-methoxy-N-methylacetamide.
What is the SMILES notation for 2-(4-ethylphenyl)-N-methoxy-N-methylacetamide?
The canonical SMILES for 2-(4-ethylphenyl)-N-methoxy-N-methylacetamide is CCc1ccc(CC(=O)N(C)OC)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-N-methoxy-N-methylacetamide?
The InChIKey is RYPDZILHRKJYTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-4-10-5-7-11(8-6-10)9-12(14)13(2)15-3/h5-8H,4,9H2,1-3H3.
What are the key properties of 2-(4-ethylphenyl)-N-methoxy-N-methylacetamide?
2-(4-ethylphenyl)-N-methoxy-N-methylacetamide has a molecular weight of 207.27 g/mol, XLogP of 1.81, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-N-methoxy-N-methylacetamide is sourced from PubChem (CID 89040835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).