N-[2-(3-chlorophenoxy)ethyl]-2-[2-hydroxyethyl(methyl)amino]acetamide

C13H19ClN2O3 — CID 110899228

IUPACN-[2-(3-chlorophenoxy)ethyl]-2-[2-hydroxyethyl(methyl)amino]acetamide
SMILESCN(CCO)CC(=O)NCCOc1cccc(Cl)c1
InChIInChI=1S/C13H19ClN2O3/c1-16(6-7-17)10-13(18)15-5-8-19-12-4-2-3-11(14)9-12/h2-4,9,17H,5-8,10H2,1H3,(H,15,18)
InChIKeyNVQFGQJGMPUUES-UHFFFAOYSA-N
MW286.76 g/mol
LogP0.76
Rot. Bonds8

About N-[2-(3-chlorophenoxy)ethyl]-2-[2-hydroxyethyl(methyl)amino]acetamide

N-[2-(3-chlorophenoxy)ethyl]-2-[2-hydroxyethyl(methyl)amino]acetamide (PubChem CID 110899228) has the molecular formula C13H19ClN2O3 and a molecular weight of 286.76 g/mol. Its IUPAC name is N-[2-(3-chlorophenoxy)ethyl]-2-[2-hydroxyethyl(methyl)amino]acetamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenoxy)ethyl]-2-[2-hydroxyethyl(methyl)amino]acetamide
PubChem CID110899228
Molecular FormulaC13H19ClN2O3
Molecular Weight286.76 g/mol
Exact Mass286.11
IUPAC NameN-[2-(3-chlorophenoxy)ethyl]-2-[2-hydroxyethyl(methyl)amino]acetamide
SMILESCN(CCO)CC(=O)NCCOc1cccc(Cl)c1
InChIInChI=1S/C13H19ClN2O3/c1-16(6-7-17)10-13(18)15-5-8-19-12-4-2-3-11(14)9-12/h2-4,9,17H,5-8,10H2,1H3,(H,15,18)
InChIKeyNVQFGQJGMPUUES-UHFFFAOYSA-N
XLogP0.76
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 50.76
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

N-[2-(3-chlorophenoxy)ethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]acetamide
CID 60509470
3-(3-chlorophenoxy)-N-(3-hydroxypropyl)propanamide
CID 43428089
2-amino-N-[2-(3-chlorophenoxy)ethyl]acetamide;hydrochloride
CID 119295694
2-[5-hydroxypentyl(methyl)amino]-N-(2-phenoxyethyl)acetamide
CID 107204277
methyl N-[2-(3-chlorophenoxy)ethyl]carbamate
CID 14496172
N-[2-(3-chlorophenoxy)ethyl]acetamide;ethane
CID 177170822
2-[1-(3-chlorophenyl)ethyl-methylamino]-N-(2-phenoxyethyl)acetamide
CID 60505360
2-[2-(3-chlorophenoxy)ethyl-methylamino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 41416148
2-[3-(3-chlorophenoxy)propyl-methylamino]-N-[(2-fluorophenyl)methyl]acetamide
CID 60507319
2-[2-(3-chlorophenoxy)ethyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 17448221
2-[[[2-(3-chlorophenoxy)ethyl-methylamino]-(ethylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide
CID 111419205
4-amino-N-[2-(3-chlorophenoxy)ethyl]butanamide;hydrochloride
CID 119295708

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenoxy)ethyl]-2-[2-hydroxyethyl(methyl)amino]acetamide?
The IUPAC name of N-[2-(3-chlorophenoxy)ethyl]-2-[2-hydroxyethyl(methyl)amino]acetamide (CID 110899228) is N-[2-(3-chlorophenoxy)ethyl]-2-[2-hydroxyethyl(methyl)amino]acetamide.
What is the SMILES notation for N-[2-(3-chlorophenoxy)ethyl]-2-[2-hydroxyethyl(methyl)amino]acetamide?
The canonical SMILES for N-[2-(3-chlorophenoxy)ethyl]-2-[2-hydroxyethyl(methyl)amino]acetamide is CN(CCO)CC(=O)NCCOc1cccc(Cl)c1.
What is the InChIKey of N-[2-(3-chlorophenoxy)ethyl]-2-[2-hydroxyethyl(methyl)amino]acetamide?
The InChIKey is NVQFGQJGMPUUES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O3/c1-16(6-7-17)10-13(18)15-5-8-19-12-4-2-3-11(14)9-12/h2-4,9,17H,5-8,10H2,1H3,(H,15,18).
What are the key properties of N-[2-(3-chlorophenoxy)ethyl]-2-[2-hydroxyethyl(methyl)amino]acetamide?
N-[2-(3-chlorophenoxy)ethyl]-2-[2-hydroxyethyl(methyl)amino]acetamide has a molecular weight of 286.76 g/mol, XLogP of 0.76, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenoxy)ethyl]-2-[2-hydroxyethyl(methyl)amino]acetamide is sourced from PubChem (CID 110899228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).