N-(4-cyanophenyl)-2-[2-hydroxyethyl(propyl)amino]acetamide

C14H19N3O2 — CID 60691467

IUPACN-(4-cyanophenyl)-2-[2-hydroxyethyl(propyl)amino]acetamide
SMILESCCCN(CCO)CC(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C14H19N3O2/c1-2-7-17(8-9-18)11-14(19)16-13-5-3-12(10-15)4-6-13/h3-6,18H,2,7-9,11H2,1H3,(H,16,19)
InChIKeyAPVIULGFQJGPPX-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.20
Rot. Bonds7

About N-(4-cyanophenyl)-2-[2-hydroxyethyl(propyl)amino]acetamide

N-(4-cyanophenyl)-2-[2-hydroxyethyl(propyl)amino]acetamide (PubChem CID 60691467) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-(4-cyanophenyl)-2-[2-hydroxyethyl(propyl)amino]acetamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-2-[2-hydroxyethyl(propyl)amino]acetamide
PubChem CID60691467
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC NameN-(4-cyanophenyl)-2-[2-hydroxyethyl(propyl)amino]acetamide
SMILESCCCN(CCO)CC(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C14H19N3O2/c1-2-7-17(8-9-18)11-14(19)16-13-5-3-12(10-15)4-6-13/h3-6,18H,2,7-9,11H2,1H3,(H,16,19)
InChIKeyAPVIULGFQJGPPX-UHFFFAOYSA-N
XLogP1.20
TPSA76.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-cyanophenyl)-2-[ethyl(propyl)amino]acetamide
CID 43268748
N-(4-aminophenyl)-2-[2-hydroxyethyl(propyl)amino]acetamide
CID 61425121
N-(4-cyanophenyl)-2-[ethyl(2-methoxyethyl)amino]acetamide
CID 61448468
2-[bis(2-hydroxyethyl)amino]-N-(4-ethoxyphenyl)acetamide
CID 60686420
2-[butyl(2-hydroxyethyl)amino]-N-(3-chloro-4-cyanophenyl)acetamide
CID 60689275
2-[(4-cyanophenyl)methyl-propylamino]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 55841564
N-(3,4-dimethoxyphenyl)-2-[2-hydroxyethyl(propyl)amino]acetamide
CID 78823396
3-[[2-(4-cyanoanilino)-2-oxoethyl]-ethylamino]-2-methylpropanoic acid
CID 62852803
2-[ethyl(2-hydroxyethyl)amino]-N-(4-methylphenyl)acetamide
CID 31993110
2-(dipropylamino)-N-(4-methoxyphenyl)acetamide
CID 54817180
2-[2-aminoethyl(methyl)amino]-N-(4-cyanophenyl)acetamide
CID 62686451
N,N'-bis(4-cyanophenyl)propanediamide
CID 108956949

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-2-[2-hydroxyethyl(propyl)amino]acetamide?
The IUPAC name of N-(4-cyanophenyl)-2-[2-hydroxyethyl(propyl)amino]acetamide (CID 60691467) is N-(4-cyanophenyl)-2-[2-hydroxyethyl(propyl)amino]acetamide.
What is the SMILES notation for N-(4-cyanophenyl)-2-[2-hydroxyethyl(propyl)amino]acetamide?
The canonical SMILES for N-(4-cyanophenyl)-2-[2-hydroxyethyl(propyl)amino]acetamide is CCCN(CCO)CC(=O)Nc1ccc(C#N)cc1.
What is the InChIKey of N-(4-cyanophenyl)-2-[2-hydroxyethyl(propyl)amino]acetamide?
The InChIKey is APVIULGFQJGPPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-2-7-17(8-9-18)11-14(19)16-13-5-3-12(10-15)4-6-13/h3-6,18H,2,7-9,11H2,1H3,(H,16,19).
What are the key properties of N-(4-cyanophenyl)-2-[2-hydroxyethyl(propyl)amino]acetamide?
N-(4-cyanophenyl)-2-[2-hydroxyethyl(propyl)amino]acetamide has a molecular weight of 261.32 g/mol, XLogP of 1.20, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-2-[2-hydroxyethyl(propyl)amino]acetamide is sourced from PubChem (CID 60691467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).