N-[5-cyano-2-(propylamino)phenyl]-N',N'-dimethylpentanediamide

C17H24N4O2 — CID 71919829

IUPACN-[5-cyano-2-(propylamino)phenyl]-N',N'-dimethylpentanediamide
SMILESCCCNc1ccc(C#N)cc1NC(=O)CCCC(=O)N(C)C
InChIInChI=1S/C17H24N4O2/c1-4-10-19-14-9-8-13(12-18)11-15(14)20-16(22)6-5-7-17(23)21(2)3/h8-9,11,19H,4-7,10H2,1-3H3,(H,20,22)
InChIKeyFCEQLZDQZMJYSL-UHFFFAOYSA-N
MW316.41 g/mol
LogP2.58
Rot. Bonds8

About N-[5-cyano-2-(propylamino)phenyl]-N',N'-dimethylpentanediamide

N-[5-cyano-2-(propylamino)phenyl]-N',N'-dimethylpentanediamide (PubChem CID 71919829) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is N-[5-cyano-2-(propylamino)phenyl]-N',N'-dimethylpentanediamide.

Molecular Properties

Compound NameN-[5-cyano-2-(propylamino)phenyl]-N',N'-dimethylpentanediamide
PubChem CID71919829
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC NameN-[5-cyano-2-(propylamino)phenyl]-N',N'-dimethylpentanediamide
SMILESCCCNc1ccc(C#N)cc1NC(=O)CCCC(=O)N(C)C
InChIInChI=1S/C17H24N4O2/c1-4-10-19-14-9-8-13(12-18)11-15(14)20-16(22)6-5-7-17(23)21(2)3/h8-9,11,19H,4-7,10H2,1-3H3,(H,20,22)
InChIKeyFCEQLZDQZMJYSL-UHFFFAOYSA-N
XLogP2.58
TPSA85.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-cyano-2-(propylamino)phenyl]-2-(2-hydroxyphenyl)acetamide
CID 71980635
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
4-(4-cyanoanilino)-N,N-dimethylbutanamide
CID 54983863
3-bromo-4-(propylamino)benzonitrile
CID 43722910
N-(2-bromo-4-cyanophenyl)-4-hydroxybutanamide
CID 79200804
4-chloro-N-(4-cyano-2-methylphenyl)butanamide
CID 25155549
5-(4-cyano-2-methoxyanilino)-5-oxopentanoic acid
CID 104833874
2-(4-cyano-2-methylanilino)-N,N-dimethylacetamide
CID 60929299
ethyl 4-(2-bromo-4-cyanoanilino)-4-oxobutanoate
CID 63118915
N-(4-cyanophenyl)pentanamide
CID 2162994
4-nitro-3-(propylamino)benzonitrile
CID 115763494

Frequently Asked Questions

What is the IUPAC name of N-[5-cyano-2-(propylamino)phenyl]-N',N'-dimethylpentanediamide?
The IUPAC name of N-[5-cyano-2-(propylamino)phenyl]-N',N'-dimethylpentanediamide (CID 71919829) is N-[5-cyano-2-(propylamino)phenyl]-N',N'-dimethylpentanediamide.
What is the SMILES notation for N-[5-cyano-2-(propylamino)phenyl]-N',N'-dimethylpentanediamide?
The canonical SMILES for N-[5-cyano-2-(propylamino)phenyl]-N',N'-dimethylpentanediamide is CCCNc1ccc(C#N)cc1NC(=O)CCCC(=O)N(C)C.
What is the InChIKey of N-[5-cyano-2-(propylamino)phenyl]-N',N'-dimethylpentanediamide?
The InChIKey is FCEQLZDQZMJYSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-4-10-19-14-9-8-13(12-18)11-15(14)20-16(22)6-5-7-17(23)21(2)3/h8-9,11,19H,4-7,10H2,1-3H3,(H,20,22).
What are the key properties of N-[5-cyano-2-(propylamino)phenyl]-N',N'-dimethylpentanediamide?
N-[5-cyano-2-(propylamino)phenyl]-N',N'-dimethylpentanediamide has a molecular weight of 316.41 g/mol, XLogP of 2.58, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-cyano-2-(propylamino)phenyl]-N',N'-dimethylpentanediamide is sourced from PubChem (CID 71919829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).