2-[butyl-[[4-(2-hydrazinyl-2-oxoethyl)phenyl]methyl]amino]acetamide

C15H24N4O2 — CID 105351844

IUPAC2-[butyl-[[4-(2-hydrazinyl-2-oxoethyl)phenyl]methyl]amino]acetamide
SMILESCCCCN(CC(N)=O)Cc1ccc(CC(=O)NN)cc1
InChIInChI=1S/C15H24N4O2/c1-2-3-8-19(11-14(16)20)10-13-6-4-12(5-7-13)9-15(21)18-17/h4-7H,2-3,8-11,17H2,1H3,(H2,16,20)(H,18,21)
InChIKeyYPIXQRWLGFGKEF-UHFFFAOYSA-N
MW292.38 g/mol
LogP0.31
Rot. Bonds9

About 2-[butyl-[[4-(2-hydrazinyl-2-oxoethyl)phenyl]methyl]amino]acetamide

2-[butyl-[[4-(2-hydrazinyl-2-oxoethyl)phenyl]methyl]amino]acetamide (PubChem CID 105351844) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-[butyl-[[4-(2-hydrazinyl-2-oxoethyl)phenyl]methyl]amino]acetamide.

Molecular Properties

Compound Name2-[butyl-[[4-(2-hydrazinyl-2-oxoethyl)phenyl]methyl]amino]acetamide
PubChem CID105351844
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name2-[butyl-[[4-(2-hydrazinyl-2-oxoethyl)phenyl]methyl]amino]acetamide
SMILESCCCCN(CC(N)=O)Cc1ccc(CC(=O)NN)cc1
InChIInChI=1S/C15H24N4O2/c1-2-3-8-19(11-14(16)20)10-13-6-4-12(5-7-13)9-15(21)18-17/h4-7H,2-3,8-11,17H2,1H3,(H2,16,20)(H,18,21)
InChIKeyYPIXQRWLGFGKEF-UHFFFAOYSA-N
XLogP0.31
TPSA101.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[4-[[butyl(ethyl)amino]methyl]phenyl]acetohydrazide
CID 105351648
4-[(2-amino-2-oxoethyl)-[(4-aminophenyl)methyl]amino]-N-methylbutanamide
CID 63890364
2-[butyl-[(2-hydroxyphenyl)methyl]amino]acetamide
CID 82978056
2-[(4-aminophenyl)methyl-[2-oxo-2-(propylamino)ethyl]amino]acetamide
CID 43461145
2-[[2-(aminomethyl)phenyl]methyl-butylamino]acetamide
CID 55002605
2-[butyl-[(3,5-dibromo-4-hydroxyphenyl)methyl]amino]acetamide
CID 107740264
2-[butyl-[2-(4-ethylphenyl)-2-oxoethyl]amino]acetamide
CID 62052887
2-[(3-bromo-4-methoxyphenyl)methyl-butylamino]acetamide
CID 54942215
3-[(2-amino-2-oxoethyl)-[(4-methylphenyl)methyl]amino]propanoic acid
CID 82326759
2-[butyl-[[4-(methylamino)-3-nitrophenyl]methyl]amino]acetamide
CID 62184589
2-[(4-amino-3-nitrophenyl)methyl-butylamino]acetamide
CID 62184585
2-[butyl-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]amino]acetamide
CID 82959006

Frequently Asked Questions

What is the IUPAC name of 2-[butyl-[[4-(2-hydrazinyl-2-oxoethyl)phenyl]methyl]amino]acetamide?
The IUPAC name of 2-[butyl-[[4-(2-hydrazinyl-2-oxoethyl)phenyl]methyl]amino]acetamide (CID 105351844) is 2-[butyl-[[4-(2-hydrazinyl-2-oxoethyl)phenyl]methyl]amino]acetamide.
What is the SMILES notation for 2-[butyl-[[4-(2-hydrazinyl-2-oxoethyl)phenyl]methyl]amino]acetamide?
The canonical SMILES for 2-[butyl-[[4-(2-hydrazinyl-2-oxoethyl)phenyl]methyl]amino]acetamide is CCCCN(CC(N)=O)Cc1ccc(CC(=O)NN)cc1.
What is the InChIKey of 2-[butyl-[[4-(2-hydrazinyl-2-oxoethyl)phenyl]methyl]amino]acetamide?
The InChIKey is YPIXQRWLGFGKEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-2-3-8-19(11-14(16)20)10-13-6-4-12(5-7-13)9-15(21)18-17/h4-7H,2-3,8-11,17H2,1H3,(H2,16,20)(H,18,21).
What are the key properties of 2-[butyl-[[4-(2-hydrazinyl-2-oxoethyl)phenyl]methyl]amino]acetamide?
2-[butyl-[[4-(2-hydrazinyl-2-oxoethyl)phenyl]methyl]amino]acetamide has a molecular weight of 292.38 g/mol, XLogP of 0.31, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl-[[4-(2-hydrazinyl-2-oxoethyl)phenyl]methyl]amino]acetamide is sourced from PubChem (CID 105351844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).