2-(2-aminoethoxy)-N-(3-chloro-4-ethoxyphenyl)acetamide

C12H17ClN2O3 — CID 79472891

IUPAC2-(2-aminoethoxy)-N-(3-chloro-4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)COCCN)cc1Cl
InChIInChI=1S/C12H17ClN2O3/c1-2-18-11-4-3-9(7-10(11)13)15-12(16)8-17-6-5-14/h3-4,7H,2,5-6,8,14H2,1H3,(H,15,16)
InChIKeyDFJMINHLKQMJGB-UHFFFAOYSA-N
MW272.73 g/mol
LogP1.65
Rot. Bonds7

About 2-(2-aminoethoxy)-N-(3-chloro-4-ethoxyphenyl)acetamide

2-(2-aminoethoxy)-N-(3-chloro-4-ethoxyphenyl)acetamide (PubChem CID 79472891) has the molecular formula C12H17ClN2O3 and a molecular weight of 272.73 g/mol. Its IUPAC name is 2-(2-aminoethoxy)-N-(3-chloro-4-ethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(2-aminoethoxy)-N-(3-chloro-4-ethoxyphenyl)acetamide
PubChem CID79472891
Molecular FormulaC12H17ClN2O3
Molecular Weight272.73 g/mol
Exact Mass272.09
IUPAC Name2-(2-aminoethoxy)-N-(3-chloro-4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)COCCN)cc1Cl
InChIInChI=1S/C12H17ClN2O3/c1-2-18-11-4-3-9(7-10(11)13)15-12(16)8-17-6-5-14/h3-4,7H,2,5-6,8,14H2,1H3,(H,15,16)
InChIKeyDFJMINHLKQMJGB-UHFFFAOYSA-N
XLogP1.65
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.73
LogP ≤ 51.65
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-(2-aminoethoxy)-N-[3-chloro-4-(dimethylamino)phenyl]acetamide
CID 79473066
2-(2-aminoethoxy)-N-(3-chloro-4-cyanophenyl)acetamide
CID 79463983
ethyl N-[4-[[2-(2-aminoethoxy)acetyl]amino]phenyl]carbamate
CID 79472872
2-(2-aminoethoxy)-N-(3-hydroxy-4-methoxyphenyl)acetamide
CID 79473739
3-amino-N-(3-chloro-4-ethoxyphenyl)-2,2-dimethylpropanamide
CID 81489227
2-(2-aminoethoxy)-N-(3-chloro-4-nitrophenyl)acetamide
CID 82864620
N-(3-chloro-4-ethoxyphenyl)-5-hydroxypentanamide
CID 79199515
2-(tert-butylamino)-N-(3-chloro-4-ethoxyphenyl)acetamide
CID 49488972
N-(3-chloro-4-ethoxyphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102611203
N-(4-acetamidophenyl)-2-(2-aminoethoxy)acetamide
CID 79463401
2-anilino-N-(3-chloro-4-ethoxyphenyl)acetamide
CID 60927630
3-(3-chloro-4-ethoxyphenyl)-1,1-dimethylurea
CID 19834572

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethoxy)-N-(3-chloro-4-ethoxyphenyl)acetamide?
The IUPAC name of 2-(2-aminoethoxy)-N-(3-chloro-4-ethoxyphenyl)acetamide (CID 79472891) is 2-(2-aminoethoxy)-N-(3-chloro-4-ethoxyphenyl)acetamide.
What is the SMILES notation for 2-(2-aminoethoxy)-N-(3-chloro-4-ethoxyphenyl)acetamide?
The canonical SMILES for 2-(2-aminoethoxy)-N-(3-chloro-4-ethoxyphenyl)acetamide is CCOc1ccc(NC(=O)COCCN)cc1Cl.
What is the InChIKey of 2-(2-aminoethoxy)-N-(3-chloro-4-ethoxyphenyl)acetamide?
The InChIKey is DFJMINHLKQMJGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O3/c1-2-18-11-4-3-9(7-10(11)13)15-12(16)8-17-6-5-14/h3-4,7H,2,5-6,8,14H2,1H3,(H,15,16).
What are the key properties of 2-(2-aminoethoxy)-N-(3-chloro-4-ethoxyphenyl)acetamide?
2-(2-aminoethoxy)-N-(3-chloro-4-ethoxyphenyl)acetamide has a molecular weight of 272.73 g/mol, XLogP of 1.65, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethoxy)-N-(3-chloro-4-ethoxyphenyl)acetamide is sourced from PubChem (CID 79472891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).