2-(3-ethylphenyl)-N-methoxy-N-methylacetamide

C12H17NO2 — CID 87253905

IUPAC2-(3-ethylphenyl)-N-methoxy-N-methylacetamide
SMILESCCc1cccc(CC(=O)N(C)OC)c1
InChIInChI=1S/C12H17NO2/c1-4-10-6-5-7-11(8-10)9-12(14)13(2)15-3/h5-8H,4,9H2,1-3H3
InChIKeyPETULWTZQDNVRW-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.81
Rot. Bonds4

About 2-(3-ethylphenyl)-N-methoxy-N-methylacetamide

2-(3-ethylphenyl)-N-methoxy-N-methylacetamide (PubChem CID 87253905) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 2-(3-ethylphenyl)-N-methoxy-N-methylacetamide.

Molecular Properties

Compound Name2-(3-ethylphenyl)-N-methoxy-N-methylacetamide
PubChem CID87253905
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name2-(3-ethylphenyl)-N-methoxy-N-methylacetamide
SMILESCCc1cccc(CC(=O)N(C)OC)c1
InChIInChI=1S/C12H17NO2/c1-4-10-6-5-7-11(8-10)9-12(14)13(2)15-3/h5-8H,4,9H2,1-3H3
InChIKeyPETULWTZQDNVRW-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-benzylphenyl)-N-methoxy-N-methylacetamide
CID 131737866
2-(4-ethylphenyl)-N-methoxy-N-methylacetamide
CID 89040835
tert-butyl 2-(3-ethylphenyl)acetate
CID 71064752
2-[4-amino-3-(aminomethyl)phenyl]-N-methoxy-N-methylacetamide
CID 174908949
2-(dibenzylamino)-N-methoxy-N-methylacetamide
CID 15314218
tert-butyl 4-[2-[methoxy(methyl)amino]-2-oxoethyl]benzoate
CID 59331582
N-methoxy-N-methyl-2-pyrimidin-5-ylacetamide
CID 126580516
2-chloro-N-[(3-ethylphenyl)methyl]-N-methylacetamide
CID 162420357
2-(3-fluoro-4-trimethylsilyloxyphenyl)-N-methoxy-N-methylacetamide
CID 19043704
2-(1,3-benzothiazol-6-yl)-N-methoxy-N-methylacetamide
CID 86084701
2-(3-ethylphenyl)-N-formylacetamide
CID 130010349
1-(3-ethylphenyl)-3-methoxy-3-methyl-1-thiophen-2-ylurea
CID 88670818

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylphenyl)-N-methoxy-N-methylacetamide?
The IUPAC name of 2-(3-ethylphenyl)-N-methoxy-N-methylacetamide (CID 87253905) is 2-(3-ethylphenyl)-N-methoxy-N-methylacetamide.
What is the SMILES notation for 2-(3-ethylphenyl)-N-methoxy-N-methylacetamide?
The canonical SMILES for 2-(3-ethylphenyl)-N-methoxy-N-methylacetamide is CCc1cccc(CC(=O)N(C)OC)c1.
What is the InChIKey of 2-(3-ethylphenyl)-N-methoxy-N-methylacetamide?
The InChIKey is PETULWTZQDNVRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-4-10-6-5-7-11(8-10)9-12(14)13(2)15-3/h5-8H,4,9H2,1-3H3.
What are the key properties of 2-(3-ethylphenyl)-N-methoxy-N-methylacetamide?
2-(3-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-(3-ethylphenyl)-N-methoxy-N-methylacetamide is sourced from PubChem (CID 87253905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).