N-[5-cyano-2-(propylamino)phenyl]-2-(4-ethylpiperazin-1-yl)acetamide

C18H27N5O — CID 75425610

IUPACN-[5-cyano-2-(propylamino)phenyl]-2-(4-ethylpiperazin-1-yl)acetamide
SMILESCCCNc1ccc(C#N)cc1NC(=O)CN1CCN(CC)CC1
InChIInChI=1S/C18H27N5O/c1-3-7-20-16-6-5-15(13-19)12-17(16)21-18(24)14-23-10-8-22(4-2)9-11-23/h5-6,12,20H,3-4,7-11,14H2,1-2H3,(H,21,24)
InChIKeyVHDXOVXXVOBBHJ-UHFFFAOYSA-N
MW329.45 g/mol
LogP1.96
Rot. Bonds7

About N-[5-cyano-2-(propylamino)phenyl]-2-(4-ethylpiperazin-1-yl)acetamide

N-[5-cyano-2-(propylamino)phenyl]-2-(4-ethylpiperazin-1-yl)acetamide (PubChem CID 75425610) has the molecular formula C18H27N5O and a molecular weight of 329.45 g/mol. Its IUPAC name is N-[5-cyano-2-(propylamino)phenyl]-2-(4-ethylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[5-cyano-2-(propylamino)phenyl]-2-(4-ethylpiperazin-1-yl)acetamide
PubChem CID75425610
Molecular FormulaC18H27N5O
Molecular Weight329.45 g/mol
Exact Mass329.22
IUPAC NameN-[5-cyano-2-(propylamino)phenyl]-2-(4-ethylpiperazin-1-yl)acetamide
SMILESCCCNc1ccc(C#N)cc1NC(=O)CN1CCN(CC)CC1
InChIInChI=1S/C18H27N5O/c1-3-7-20-16-6-5-15(13-19)12-17(16)21-18(24)14-23-10-8-22(4-2)9-11-23/h5-6,12,20H,3-4,7-11,14H2,1-2H3,(H,21,24)
InChIKeyVHDXOVXXVOBBHJ-UHFFFAOYSA-N
XLogP1.96
TPSA71.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-cyano-2-(propylamino)phenyl]-2-(2-hydroxyphenyl)acetamide
CID 71980635
N-[5-cyano-2-(propylamino)phenyl]-N',N'-dimethylpentanediamide
CID 71919829
2-(4-aminopiperidin-1-yl)-N-(5-cyano-2-methylphenyl)acetamide
CID 79327658
N-(4-bromo-2-methylphenyl)-2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]acetamide
CID 46802308
N-[5-cyano-2-(propylamino)phenyl]-3-methoxy-2-methylpropanamide
CID 71919833
N-(4-bromo-2-chlorophenyl)-2-(4-ethylpiperazin-1-yl)acetamide
CID 6469594
2-(4-aminopiperidin-1-yl)-N-(4-cyano-2-methoxyphenyl)acetamide
CID 104848882
3-bromo-4-(propylamino)benzonitrile
CID 43722910
N-(2-chloro-4-cyanophenyl)-2-(1,4-diazepan-1-yl)acetamide
CID 107808016
N-(4-cyano-2-nitrophenyl)-2-piperazin-1-ylacetamide
CID 78965169
N-(4-cyanophenyl)-2-piperidin-1-ylacetamide
CID 2697414
N-(2,5-dichlorophenyl)-2-(4-ethylpiperazin-1-yl)acetamide
CID 6465282

Frequently Asked Questions

What is the IUPAC name of N-[5-cyano-2-(propylamino)phenyl]-2-(4-ethylpiperazin-1-yl)acetamide?
The IUPAC name of N-[5-cyano-2-(propylamino)phenyl]-2-(4-ethylpiperazin-1-yl)acetamide (CID 75425610) is N-[5-cyano-2-(propylamino)phenyl]-2-(4-ethylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-[5-cyano-2-(propylamino)phenyl]-2-(4-ethylpiperazin-1-yl)acetamide?
The canonical SMILES for N-[5-cyano-2-(propylamino)phenyl]-2-(4-ethylpiperazin-1-yl)acetamide is CCCNc1ccc(C#N)cc1NC(=O)CN1CCN(CC)CC1.
What is the InChIKey of N-[5-cyano-2-(propylamino)phenyl]-2-(4-ethylpiperazin-1-yl)acetamide?
The InChIKey is VHDXOVXXVOBBHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O/c1-3-7-20-16-6-5-15(13-19)12-17(16)21-18(24)14-23-10-8-22(4-2)9-11-23/h5-6,12,20H,3-4,7-11,14H2,1-2H3,(H,21,24).
What are the key properties of N-[5-cyano-2-(propylamino)phenyl]-2-(4-ethylpiperazin-1-yl)acetamide?
N-[5-cyano-2-(propylamino)phenyl]-2-(4-ethylpiperazin-1-yl)acetamide has a molecular weight of 329.45 g/mol, XLogP of 1.96, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-cyano-2-(propylamino)phenyl]-2-(4-ethylpiperazin-1-yl)acetamide is sourced from PubChem (CID 75425610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).