2-(4-ethylphenoxy)-N-[2-(methylamino)-2-oxoethoxy]acetamide

C13H18N2O4 — CID 110495647

IUPAC2-(4-ethylphenoxy)-N-[2-(methylamino)-2-oxoethoxy]acetamide
SMILESCCc1ccc(OCC(=O)NOCC(=O)NC)cc1
InChIInChI=1S/C13H18N2O4/c1-3-10-4-6-11(7-5-10)18-8-13(17)15-19-9-12(16)14-2/h4-7H,3,8-9H2,1-2H3,(H,14,16)(H,15,17)
InChIKeySMBSMGWBNHPCIC-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.42
Rot. Bonds7

About 2-(4-ethylphenoxy)-N-[2-(methylamino)-2-oxoethoxy]acetamide

2-(4-ethylphenoxy)-N-[2-(methylamino)-2-oxoethoxy]acetamide (PubChem CID 110495647) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-(4-ethylphenoxy)-N-[2-(methylamino)-2-oxoethoxy]acetamide.

Molecular Properties

Compound Name2-(4-ethylphenoxy)-N-[2-(methylamino)-2-oxoethoxy]acetamide
PubChem CID110495647
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name2-(4-ethylphenoxy)-N-[2-(methylamino)-2-oxoethoxy]acetamide
SMILESCCc1ccc(OCC(=O)NOCC(=O)NC)cc1
InChIInChI=1S/C13H18N2O4/c1-3-10-4-6-11(7-5-10)18-8-13(17)15-19-9-12(16)14-2/h4-7H,3,8-9H2,1-2H3,(H,14,16)(H,15,17)
InChIKeySMBSMGWBNHPCIC-UHFFFAOYSA-N
XLogP0.42
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(methylamino)-2-oxoethoxy]-2-phenoxyacetamide
CID 110495620
2-(4-ethylphenoxy)-N-methoxyacetamide
CID 60716979
2-[4-[[2-(4-ethylphenoxy)acetyl]amino]phenyl]-N-methylacetamide
CID 35364935
N-tert-butyl-2-(4-ethylphenoxy)acetamide
CID 807221
2-[4-[4-(aminomethyl)phenyl]phenoxy]-N-methylacetamide
CID 43366442
N-ethoxy-2-(4-ethoxyphenoxy)acetamide
CID 60700690
2-(4-methoxyphenoxy)-N-methylacetamide
CID 606867
1-N',6-N'-bis[2-(4-ethylphenoxy)acetyl]hexanedihydrazide
CID 3385883
2-(4-aminophenoxy)-N-(4-ethylphenyl)acetamide
CID 39107615
2-(4-aminophenoxy)-N-[(4-ethylphenyl)methyl]acetamide
CID 106899089
N-(1-amino-2-methylpropan-2-yl)-2-(4-ethylphenoxy)acetamide
CID 82354507
N-[4-(carbamoylamino)phenyl]-2-(4-ethylphenoxy)acetamide
CID 33152476

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenoxy)-N-[2-(methylamino)-2-oxoethoxy]acetamide?
The IUPAC name of 2-(4-ethylphenoxy)-N-[2-(methylamino)-2-oxoethoxy]acetamide (CID 110495647) is 2-(4-ethylphenoxy)-N-[2-(methylamino)-2-oxoethoxy]acetamide.
What is the SMILES notation for 2-(4-ethylphenoxy)-N-[2-(methylamino)-2-oxoethoxy]acetamide?
The canonical SMILES for 2-(4-ethylphenoxy)-N-[2-(methylamino)-2-oxoethoxy]acetamide is CCc1ccc(OCC(=O)NOCC(=O)NC)cc1.
What is the InChIKey of 2-(4-ethylphenoxy)-N-[2-(methylamino)-2-oxoethoxy]acetamide?
The InChIKey is SMBSMGWBNHPCIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-3-10-4-6-11(7-5-10)18-8-13(17)15-19-9-12(16)14-2/h4-7H,3,8-9H2,1-2H3,(H,14,16)(H,15,17).
What are the key properties of 2-(4-ethylphenoxy)-N-[2-(methylamino)-2-oxoethoxy]acetamide?
2-(4-ethylphenoxy)-N-[2-(methylamino)-2-oxoethoxy]acetamide has a molecular weight of 266.30 g/mol, XLogP of 0.42, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenoxy)-N-[2-(methylamino)-2-oxoethoxy]acetamide is sourced from PubChem (CID 110495647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).