N-[5-cyano-2-(propylamino)phenyl]-2-(2-hydroxyphenyl)acetamide

C18H19N3O2 — CID 71980635

IUPACN-[5-cyano-2-(propylamino)phenyl]-2-(2-hydroxyphenyl)acetamide
SMILESCCCNc1ccc(C#N)cc1NC(=O)Cc1ccccc1O
InChIInChI=1S/C18H19N3O2/c1-2-9-20-15-8-7-13(12-19)10-16(15)21-18(23)11-14-5-3-4-6-17(14)22/h3-8,10,20,22H,2,9,11H2,1H3,(H,21,23)
InChIKeyWUQDBHRTDJGXHL-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.27
Rot. Bonds6

About N-[5-cyano-2-(propylamino)phenyl]-2-(2-hydroxyphenyl)acetamide

N-[5-cyano-2-(propylamino)phenyl]-2-(2-hydroxyphenyl)acetamide (PubChem CID 71980635) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is N-[5-cyano-2-(propylamino)phenyl]-2-(2-hydroxyphenyl)acetamide.

Molecular Properties

Compound NameN-[5-cyano-2-(propylamino)phenyl]-2-(2-hydroxyphenyl)acetamide
PubChem CID71980635
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC NameN-[5-cyano-2-(propylamino)phenyl]-2-(2-hydroxyphenyl)acetamide
SMILESCCCNc1ccc(C#N)cc1NC(=O)Cc1ccccc1O
InChIInChI=1S/C18H19N3O2/c1-2-9-20-15-8-7-13(12-19)10-16(15)21-18(23)11-14-5-3-4-6-17(14)22/h3-8,10,20,22H,2,9,11H2,1H3,(H,21,23)
InChIKeyWUQDBHRTDJGXHL-UHFFFAOYSA-N
XLogP3.27
TPSA85.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-cyano-2-(propylamino)phenyl]-N',N'-dimethylpentanediamide
CID 71919829
N-[5-cyano-2-(propylamino)phenyl]-2-(4-ethylpiperazin-1-yl)acetamide
CID 75425610
N-[5-cyano-2-(propylamino)phenyl]-3-methoxy-2-methylpropanamide
CID 71919833
N-(5-cyano-2-methylphenyl)-2-(2-fluorophenyl)acetamide
CID 47475886
N-(2-cyanophenyl)-2-(2-hydroxyphenyl)acetamide
CID 80740419
2-chloro-N-(5-cyano-2-hydroxyphenyl)acetamide
CID 89084305
3-bromo-4-(propylamino)benzonitrile
CID 43722910
3-hydroxy-4-(2-propylanilino)benzonitrile
CID 143183099
N-(2-cyano-3-methylphenyl)-2-(2-hydroxyphenyl)acetamide
CID 107799235
2-[2-(aminomethyl)phenyl]-N-(2-chloro-4-cyanophenyl)acetamide
CID 107808029
N-[(4-cyano-2-fluorophenyl)methyl]-2-(2-hydroxyphenyl)acetamide
CID 78944983
N-(2,5-dimethylphenyl)-2-(2-hydroxyphenyl)acetamide
CID 78991426

Frequently Asked Questions

What is the IUPAC name of N-[5-cyano-2-(propylamino)phenyl]-2-(2-hydroxyphenyl)acetamide?
The IUPAC name of N-[5-cyano-2-(propylamino)phenyl]-2-(2-hydroxyphenyl)acetamide (CID 71980635) is N-[5-cyano-2-(propylamino)phenyl]-2-(2-hydroxyphenyl)acetamide.
What is the SMILES notation for N-[5-cyano-2-(propylamino)phenyl]-2-(2-hydroxyphenyl)acetamide?
The canonical SMILES for N-[5-cyano-2-(propylamino)phenyl]-2-(2-hydroxyphenyl)acetamide is CCCNc1ccc(C#N)cc1NC(=O)Cc1ccccc1O.
What is the InChIKey of N-[5-cyano-2-(propylamino)phenyl]-2-(2-hydroxyphenyl)acetamide?
The InChIKey is WUQDBHRTDJGXHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-2-9-20-15-8-7-13(12-19)10-16(15)21-18(23)11-14-5-3-4-6-17(14)22/h3-8,10,20,22H,2,9,11H2,1H3,(H,21,23).
What are the key properties of N-[5-cyano-2-(propylamino)phenyl]-2-(2-hydroxyphenyl)acetamide?
N-[5-cyano-2-(propylamino)phenyl]-2-(2-hydroxyphenyl)acetamide has a molecular weight of 309.37 g/mol, XLogP of 3.27, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-cyano-2-(propylamino)phenyl]-2-(2-hydroxyphenyl)acetamide is sourced from PubChem (CID 71980635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).