2-[butyl(2-hydroxyethyl)amino]-N-(3-chloro-4-cyanophenyl)acetamide

C15H20ClN3O2 — CID 60689275

IUPAC2-[butyl(2-hydroxyethyl)amino]-N-(3-chloro-4-cyanophenyl)acetamide
SMILESCCCCN(CCO)CC(=O)Nc1ccc(C#N)c(Cl)c1
InChIInChI=1S/C15H20ClN3O2/c1-2-3-6-19(7-8-20)11-15(21)18-13-5-4-12(10-17)14(16)9-13/h4-5,9,20H,2-3,6-8,11H2,1H3,(H,18,21)
InChIKeyLMAKZZVAEJJKGA-UHFFFAOYSA-N
MW309.80 g/mol
LogP2.24
Rot. Bonds8

About 2-[butyl(2-hydroxyethyl)amino]-N-(3-chloro-4-cyanophenyl)acetamide

2-[butyl(2-hydroxyethyl)amino]-N-(3-chloro-4-cyanophenyl)acetamide (PubChem CID 60689275) has the molecular formula C15H20ClN3O2 and a molecular weight of 309.80 g/mol. Its IUPAC name is 2-[butyl(2-hydroxyethyl)amino]-N-(3-chloro-4-cyanophenyl)acetamide.

Molecular Properties

Compound Name2-[butyl(2-hydroxyethyl)amino]-N-(3-chloro-4-cyanophenyl)acetamide
PubChem CID60689275
Molecular FormulaC15H20ClN3O2
Molecular Weight309.80 g/mol
Exact Mass309.12
IUPAC Name2-[butyl(2-hydroxyethyl)amino]-N-(3-chloro-4-cyanophenyl)acetamide
SMILESCCCCN(CCO)CC(=O)Nc1ccc(C#N)c(Cl)c1
InChIInChI=1S/C15H20ClN3O2/c1-2-3-6-19(7-8-20)11-15(21)18-13-5-4-12(10-17)14(16)9-13/h4-5,9,20H,2-3,6-8,11H2,1H3,(H,18,21)
InChIKeyLMAKZZVAEJJKGA-UHFFFAOYSA-N
XLogP2.24
TPSA76.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[benzyl(2-hydroxyethyl)amino]-N-(3-chloro-4-cyanophenyl)acetamide
CID 110881066
N-(4-cyanophenyl)-2-[2-hydroxyethyl(propyl)amino]acetamide
CID 60691467
N-(3-chloro-4-cyanophenyl)-2-[2-cyanoethyl(furan-2-ylmethyl)amino]acetamide
CID 86910978
N-(3-chloro-4-cyanophenyl)-2-[ethyl-[(3-fluorophenyl)methyl]amino]acetamide
CID 18196458
N-(3-chloro-4-cyanophenyl)-2-(4-hydroxybutan-2-ylsulfanyl)acetamide
CID 65417290
2-[butyl(2-hydroxyethyl)amino]-N-(2,3-dichlorophenyl)acetamide
CID 60689184
N-(3-chloro-4-cyanophenyl)-2-[methyl(1-phenylethyl)amino]acetamide
CID 18191756
2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-N-(3-chloro-4-cyanophenyl)acetamide
CID 16609168
N-(3-fluorophenyl)-2-[2-hydroxyethyl(pentyl)amino]acetamide
CID 111120327
N-(3-chloro-4-methylphenyl)-2-[ethyl(3-hydroxypropyl)amino]acetamide
CID 115669605
N-(3,4-dimethoxyphenyl)-2-[2-hydroxyethyl(propyl)amino]acetamide
CID 78823396
1-(3-chloro-4-cyanophenyl)-3-ethylurea
CID 115569840

Frequently Asked Questions

What is the IUPAC name of 2-[butyl(2-hydroxyethyl)amino]-N-(3-chloro-4-cyanophenyl)acetamide?
The IUPAC name of 2-[butyl(2-hydroxyethyl)amino]-N-(3-chloro-4-cyanophenyl)acetamide (CID 60689275) is 2-[butyl(2-hydroxyethyl)amino]-N-(3-chloro-4-cyanophenyl)acetamide.
What is the SMILES notation for 2-[butyl(2-hydroxyethyl)amino]-N-(3-chloro-4-cyanophenyl)acetamide?
The canonical SMILES for 2-[butyl(2-hydroxyethyl)amino]-N-(3-chloro-4-cyanophenyl)acetamide is CCCCN(CCO)CC(=O)Nc1ccc(C#N)c(Cl)c1.
What is the InChIKey of 2-[butyl(2-hydroxyethyl)amino]-N-(3-chloro-4-cyanophenyl)acetamide?
The InChIKey is LMAKZZVAEJJKGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O2/c1-2-3-6-19(7-8-20)11-15(21)18-13-5-4-12(10-17)14(16)9-13/h4-5,9,20H,2-3,6-8,11H2,1H3,(H,18,21).
What are the key properties of 2-[butyl(2-hydroxyethyl)amino]-N-(3-chloro-4-cyanophenyl)acetamide?
2-[butyl(2-hydroxyethyl)amino]-N-(3-chloro-4-cyanophenyl)acetamide has a molecular weight of 309.80 g/mol, XLogP of 2.24, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(2-hydroxyethyl)amino]-N-(3-chloro-4-cyanophenyl)acetamide is sourced from PubChem (CID 60689275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).