N-ethyl-2-[3-(2-phenoxyethoxy)anilino]acetamide

C18H22N2O3 — CID 54826043

IUPACN-ethyl-2-[3-(2-phenoxyethoxy)anilino]acetamide
SMILESCCNC(=O)CNc1cccc(OCCOc2ccccc2)c1
InChIInChI=1S/C18H22N2O3/c1-2-19-18(21)14-20-15-7-6-10-17(13-15)23-12-11-22-16-8-4-3-5-9-16/h3-10,13,20H,2,11-12,14H2,1H3,(H,19,21)
InChIKeySXYMEZSTGCPQOU-UHFFFAOYSA-N
MW314.38 g/mol
LogP2.69
Rot. Bonds9

About N-ethyl-2-[3-(2-phenoxyethoxy)anilino]acetamide

N-ethyl-2-[3-(2-phenoxyethoxy)anilino]acetamide (PubChem CID 54826043) has the molecular formula C18H22N2O3 and a molecular weight of 314.38 g/mol. Its IUPAC name is N-ethyl-2-[3-(2-phenoxyethoxy)anilino]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[3-(2-phenoxyethoxy)anilino]acetamide
PubChem CID54826043
Molecular FormulaC18H22N2O3
Molecular Weight314.38 g/mol
Exact Mass314.16
IUPAC NameN-ethyl-2-[3-(2-phenoxyethoxy)anilino]acetamide
SMILESCCNC(=O)CNc1cccc(OCCOc2ccccc2)c1
InChIInChI=1S/C18H22N2O3/c1-2-19-18(21)14-20-15-7-6-10-17(13-15)23-12-11-22-16-8-4-3-5-9-16/h3-10,13,20H,2,11-12,14H2,1H3,(H,19,21)
InChIKeySXYMEZSTGCPQOU-UHFFFAOYSA-N
XLogP2.69
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(2-phenoxyethoxy)anilino]-N-propylacetamide
CID 54825848
N-ethyl-2-(3-heptoxyanilino)acetamide
CID 54829186
N-ethyl-2-(3-phenylmethoxyanilino)acetamide
CID 54826259
2-[3-(2-ethoxyethoxy)anilino]-N-[3-(2-phenoxyethoxy)phenyl]acetamide
CID 54827581
N-[4-(2-ethoxyethoxy)phenyl]-2-[3-(2-phenoxyethoxy)anilino]acetamide
CID 54825982
2-(3,4-dimethylanilino)-N-[3-(2-phenoxyethoxy)phenyl]acetamide
CID 54811716
2-(3,5-dimethylanilino)-N-[3-(2-phenoxyethoxy)phenyl]acetamide
CID 54813315
2-(4-methylanilino)-N-[3-(2-phenoxyethoxy)phenyl]acetamide
CID 54813929
N-ethyl-2-[3-(trifluoromethoxy)anilino]acetamide
CID 28586058
N-(2-butoxyphenyl)-2-[3-(2-phenoxyethoxy)anilino]acetamide
CID 54826111
N-butyl-3-[[2-oxo-2-[3-(2-phenoxyethoxy)anilino]ethyl]amino]benzamide
CID 54834119
2-(3,4-dichloroanilino)-N-[3-(2-phenoxyethoxy)phenyl]acetamide
CID 54811847

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[3-(2-phenoxyethoxy)anilino]acetamide?
The IUPAC name of N-ethyl-2-[3-(2-phenoxyethoxy)anilino]acetamide (CID 54826043) is N-ethyl-2-[3-(2-phenoxyethoxy)anilino]acetamide.
What is the SMILES notation for N-ethyl-2-[3-(2-phenoxyethoxy)anilino]acetamide?
The canonical SMILES for N-ethyl-2-[3-(2-phenoxyethoxy)anilino]acetamide is CCNC(=O)CNc1cccc(OCCOc2ccccc2)c1.
What is the InChIKey of N-ethyl-2-[3-(2-phenoxyethoxy)anilino]acetamide?
The InChIKey is SXYMEZSTGCPQOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-2-19-18(21)14-20-15-7-6-10-17(13-15)23-12-11-22-16-8-4-3-5-9-16/h3-10,13,20H,2,11-12,14H2,1H3,(H,19,21).
What are the key properties of N-ethyl-2-[3-(2-phenoxyethoxy)anilino]acetamide?
N-ethyl-2-[3-(2-phenoxyethoxy)anilino]acetamide has a molecular weight of 314.38 g/mol, XLogP of 2.69, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[3-(2-phenoxyethoxy)anilino]acetamide is sourced from PubChem (CID 54826043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).