2-[4-(2-ethoxyethoxy)anilino]-N-methylacetamide

C13H20N2O3 — CID 54825412

IUPAC2-[4-(2-ethoxyethoxy)anilino]-N-methylacetamide
SMILESCCOCCOc1ccc(NCC(=O)NC)cc1
InChIInChI=1S/C13H20N2O3/c1-3-17-8-9-18-12-6-4-11(5-7-12)15-10-13(16)14-2/h4-7,15H,3,8-10H2,1-2H3,(H,14,16)
InChIKeyACOOAYWUPAKDFQ-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.26
Rot. Bonds8

About 2-[4-(2-ethoxyethoxy)anilino]-N-methylacetamide

2-[4-(2-ethoxyethoxy)anilino]-N-methylacetamide (PubChem CID 54825412) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-[4-(2-ethoxyethoxy)anilino]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-(2-ethoxyethoxy)anilino]-N-methylacetamide
PubChem CID54825412
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name2-[4-(2-ethoxyethoxy)anilino]-N-methylacetamide
SMILESCCOCCOc1ccc(NCC(=O)NC)cc1
InChIInChI=1S/C13H20N2O3/c1-3-17-8-9-18-12-6-4-11(5-7-12)15-10-13(16)14-2/h4-7,15H,3,8-10H2,1-2H3,(H,14,16)
InChIKeyACOOAYWUPAKDFQ-UHFFFAOYSA-N
XLogP1.26
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[[2-[4-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]-N-methylbenzamide
CID 54846095
2-(4-butoxyanilino)-N-[4-(2-ethoxyethoxy)phenyl]acetamide
CID 54820258
N-[4-[[2-[4-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]phenyl]butanamide
CID 54837207
N-(2,6-dimethylphenyl)-2-[4-(2-ethoxyethoxy)anilino]acetamide
CID 54825290
N-(3,5-dichlorophenyl)-2-[4-(2-ethoxyethoxy)anilino]acetamide
CID 54825678
2-[4-(2-ethoxyethoxy)anilino]-N-hexadecylacetamide
CID 54825377
N-(3-acetamidophenyl)-2-[4-(2-ethoxyethoxy)anilino]acetamide
CID 54825386
2-(4-ethoxyanilino)-N-[3-(2-ethoxyethoxy)phenyl]acetamide
CID 54811569
N-[4-(2-ethoxyethoxy)phenyl]-2-[4-(3-phenylpropoxy)anilino]acetamide
CID 54825460
4-(2-ethoxyethoxy)-N-ethylaniline
CID 54801151
N-[4-(2-(113C)ethoxyethoxy)phenyl]acetamide
CID 54301804
N-methyl-2-(4-prop-2-enoxyanilino)acetamide
CID 54821477

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-ethoxyethoxy)anilino]-N-methylacetamide?
The IUPAC name of 2-[4-(2-ethoxyethoxy)anilino]-N-methylacetamide (CID 54825412) is 2-[4-(2-ethoxyethoxy)anilino]-N-methylacetamide.
What is the SMILES notation for 2-[4-(2-ethoxyethoxy)anilino]-N-methylacetamide?
The canonical SMILES for 2-[4-(2-ethoxyethoxy)anilino]-N-methylacetamide is CCOCCOc1ccc(NCC(=O)NC)cc1.
What is the InChIKey of 2-[4-(2-ethoxyethoxy)anilino]-N-methylacetamide?
The InChIKey is ACOOAYWUPAKDFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-3-17-8-9-18-12-6-4-11(5-7-12)15-10-13(16)14-2/h4-7,15H,3,8-10H2,1-2H3,(H,14,16).
What are the key properties of 2-[4-(2-ethoxyethoxy)anilino]-N-methylacetamide?
2-[4-(2-ethoxyethoxy)anilino]-N-methylacetamide has a molecular weight of 252.31 g/mol, XLogP of 1.26, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-ethoxyethoxy)anilino]-N-methylacetamide is sourced from PubChem (CID 54825412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).