4-cyano-N-(2-hydroxyethyl)-N-propylbenzamide

C13H16N2O2 — CID 60655710

IUPAC4-cyano-N-(2-hydroxyethyl)-N-propylbenzamide
SMILESCCCN(CCO)C(=O)c1ccc(C#N)cc1
InChIInChI=1S/C13H16N2O2/c1-2-7-15(8-9-16)13(17)12-5-3-11(10-14)4-6-12/h3-6,16H,2,7-9H2,1H3
InChIKeyCKNQAXIZTGJNGB-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.40
Rot. Bonds5

About 4-cyano-N-(2-hydroxyethyl)-N-propylbenzamide

4-cyano-N-(2-hydroxyethyl)-N-propylbenzamide (PubChem CID 60655710) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 4-cyano-N-(2-hydroxyethyl)-N-propylbenzamide.

Molecular Properties

Compound Name4-cyano-N-(2-hydroxyethyl)-N-propylbenzamide
PubChem CID60655710
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name4-cyano-N-(2-hydroxyethyl)-N-propylbenzamide
SMILESCCCN(CCO)C(=O)c1ccc(C#N)cc1
InChIInChI=1S/C13H16N2O2/c1-2-7-15(8-9-16)13(17)12-5-3-11(10-14)4-6-12/h3-6,16H,2,7-9H2,1H3
InChIKeyCKNQAXIZTGJNGB-UHFFFAOYSA-N
XLogP1.40
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[(4-cyanobenzoyl)-propylamino]acetate
CID 60766494
ethane;N-(2-hydroxyethyl)-4-methyl-N-propylbenzamide
CID 176553147
N-(2-hydroxyethyl)-4-(hydroxymethyl)-N-propylbenzamide
CID 61425097
4-amino-N-(2-hydroxyethyl)-N-propylbenzamide
CID 60946109
5-cyano-N-(2-hydroxyethyl)-N-propylpyridine-2-carboxamide
CID 63724052
2-(4-cyanophenoxy)-N-(2-hydroxyethyl)-N-propylacetamide
CID 60655991
3-[(4-cyanobenzoyl)-ethylamino]propanoic acid
CID 54899068
N-(2-hydroxyethyl)-4-(methylsulfanylmethyl)-N-propylbenzamide
CID 60656648
3-cyano-N-ethyl-N-(2-hydroxyethyl)benzamide
CID 60653626
N-[(4-cyanophenyl)methyl]-4-cyclopentyloxy-N-propylbenzamide
CID 55609453
4-benzamido-N-[(4-cyanophenyl)methyl]-N-propylbenzamide
CID 55593914
ethane;4-methyl-N,N-dipropylbenzamide
CID 143600655

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-(2-hydroxyethyl)-N-propylbenzamide?
The IUPAC name of 4-cyano-N-(2-hydroxyethyl)-N-propylbenzamide (CID 60655710) is 4-cyano-N-(2-hydroxyethyl)-N-propylbenzamide.
What is the SMILES notation for 4-cyano-N-(2-hydroxyethyl)-N-propylbenzamide?
The canonical SMILES for 4-cyano-N-(2-hydroxyethyl)-N-propylbenzamide is CCCN(CCO)C(=O)c1ccc(C#N)cc1.
What is the InChIKey of 4-cyano-N-(2-hydroxyethyl)-N-propylbenzamide?
The InChIKey is CKNQAXIZTGJNGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-2-7-15(8-9-16)13(17)12-5-3-11(10-14)4-6-12/h3-6,16H,2,7-9H2,1H3.
What are the key properties of 4-cyano-N-(2-hydroxyethyl)-N-propylbenzamide?
4-cyano-N-(2-hydroxyethyl)-N-propylbenzamide has a molecular weight of 232.28 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-(2-hydroxyethyl)-N-propylbenzamide is sourced from PubChem (CID 60655710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).