N-(2-amino-5-chlorophenyl)-2-[3-(2-methoxyethoxy)propoxy]acetamide

C14H21ClN2O4 — CID 103401181

IUPACN-(2-amino-5-chlorophenyl)-2-[3-(2-methoxyethoxy)propoxy]acetamide
SMILESCOCCOCCCOCC(=O)Nc1cc(Cl)ccc1N
InChIInChI=1S/C14H21ClN2O4/c1-19-7-8-20-5-2-6-21-10-14(18)17-13-9-11(15)3-4-12(13)16/h3-4,9H,2,5-8,10,16H2,1H3,(H,17,18)
InChIKeyTYOPUXXWSSLTNB-UHFFFAOYSA-N
MW316.78 g/mol
LogP1.93
Rot. Bonds10

About N-(2-amino-5-chlorophenyl)-2-[3-(2-methoxyethoxy)propoxy]acetamide

N-(2-amino-5-chlorophenyl)-2-[3-(2-methoxyethoxy)propoxy]acetamide (PubChem CID 103401181) has the molecular formula C14H21ClN2O4 and a molecular weight of 316.78 g/mol. Its IUPAC name is N-(2-amino-5-chlorophenyl)-2-[3-(2-methoxyethoxy)propoxy]acetamide.

Molecular Properties

Compound NameN-(2-amino-5-chlorophenyl)-2-[3-(2-methoxyethoxy)propoxy]acetamide
PubChem CID103401181
Molecular FormulaC14H21ClN2O4
Molecular Weight316.78 g/mol
Exact Mass316.12
IUPAC NameN-(2-amino-5-chlorophenyl)-2-[3-(2-methoxyethoxy)propoxy]acetamide
SMILESCOCCOCCCOCC(=O)Nc1cc(Cl)ccc1N
InChIInChI=1S/C14H21ClN2O4/c1-19-7-8-20-5-2-6-21-10-14(18)17-13-9-11(15)3-4-12(13)16/h3-4,9H,2,5-8,10,16H2,1H3,(H,17,18)
InChIKeyTYOPUXXWSSLTNB-UHFFFAOYSA-N
XLogP1.93
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.78
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-4-chlorophenyl)-2-[2-(3-methoxypropoxy)ethoxy]acetamide
CID 103176913
N-(2-amino-5-chlorophenyl)-2-pentoxyacetamide
CID 43274990
N-(2-amino-5-chlorophenyl)-2-heptoxyacetamide
CID 43127087
N-(2-amino-5-fluorophenyl)-2-[2-(2-methoxyethoxy)ethoxy]acetamide
CID 104560278
N-(5-chloro-2-methylphenyl)-2-(2-methoxyethoxy)acetamide
CID 103606661
N-(5-amino-2-fluorophenyl)-2-[3-(2-methoxyethoxy)propoxy]acetamide
CID 103401139
N-(5-amino-2-fluorophenyl)-2-[2-(3-methoxypropoxy)ethoxy]acetamide
CID 103176942
N-(2-amino-5-chlorophenyl)-4-(4-methylpentoxy)butanamide
CID 28995438
N-(2-amino-5-chlorophenyl)-3-propoxypropanamide
CID 43247865
N-(2-amino-4-methoxyphenyl)-2-[2-(2-methoxyethoxy)ethoxy]acetamide
CID 104560142
N-(2-amino-5-chlorophenyl)-2-(2-methoxyethylsulfinyl)acetamide
CID 61287840
N-(2-amino-5-chlorophenyl)-2-cyclopentyloxyacetamide
CID 16793284

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-chlorophenyl)-2-[3-(2-methoxyethoxy)propoxy]acetamide?
The IUPAC name of N-(2-amino-5-chlorophenyl)-2-[3-(2-methoxyethoxy)propoxy]acetamide (CID 103401181) is N-(2-amino-5-chlorophenyl)-2-[3-(2-methoxyethoxy)propoxy]acetamide.
What is the SMILES notation for N-(2-amino-5-chlorophenyl)-2-[3-(2-methoxyethoxy)propoxy]acetamide?
The canonical SMILES for N-(2-amino-5-chlorophenyl)-2-[3-(2-methoxyethoxy)propoxy]acetamide is COCCOCCCOCC(=O)Nc1cc(Cl)ccc1N.
What is the InChIKey of N-(2-amino-5-chlorophenyl)-2-[3-(2-methoxyethoxy)propoxy]acetamide?
The InChIKey is TYOPUXXWSSLTNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O4/c1-19-7-8-20-5-2-6-21-10-14(18)17-13-9-11(15)3-4-12(13)16/h3-4,9H,2,5-8,10,16H2,1H3,(H,17,18).
What are the key properties of N-(2-amino-5-chlorophenyl)-2-[3-(2-methoxyethoxy)propoxy]acetamide?
N-(2-amino-5-chlorophenyl)-2-[3-(2-methoxyethoxy)propoxy]acetamide has a molecular weight of 316.78 g/mol, XLogP of 1.93, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-chlorophenyl)-2-[3-(2-methoxyethoxy)propoxy]acetamide is sourced from PubChem (CID 103401181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).