2-[4-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]phenyl]acetohydrazide

C16H26N4O — CID 105351782

IUPAC2-[4-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]phenyl]acetohydrazide
SMILESCN(CCN1CCCC1)Cc1ccc(CC(=O)NN)cc1
InChIInChI=1S/C16H26N4O/c1-19(10-11-20-8-2-3-9-20)13-15-6-4-14(5-7-15)12-16(21)18-17/h4-7H,2-3,8-13,17H2,1H3,(H,18,21)
InChIKeyZWPLNMVMSZQVRR-UHFFFAOYSA-N
MW290.41 g/mol
LogP0.75
Rot. Bonds7

About 2-[4-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]phenyl]acetohydrazide

2-[4-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]phenyl]acetohydrazide (PubChem CID 105351782) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-[4-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]phenyl]acetohydrazide.

Molecular Properties

Compound Name2-[4-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]phenyl]acetohydrazide
PubChem CID105351782
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name2-[4-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]phenyl]acetohydrazide
SMILESCN(CCN1CCCC1)Cc1ccc(CC(=O)NN)cc1
InChIInChI=1S/C16H26N4O/c1-19(10-11-20-8-2-3-9-20)13-15-6-4-14(5-7-15)12-16(21)18-17/h4-7H,2-3,8-13,17H2,1H3,(H,18,21)
InChIKeyZWPLNMVMSZQVRR-UHFFFAOYSA-N
XLogP0.75
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 50.75
H-Bond Donors ≤ 52
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

3-Pyrazolidinone, 1-methyl-5-phenyl-
CID 95490
N'-[3-(4-benzylpiperazin-1-yl)propanoyl]-4-ethylbenzohydrazide
CID 4684752
2-(4-Aminomethyl-phenyl)-N-methyl-N-((S)-1-phenyl-2-pyrrolidin-1-yl-ethyl)-acetamide
CID 44399273
2-Phenyl-2-(piperidin-1-yl)ethanehydrazonic acid
CID 202145
1-[(4-Methylphenyl)methyl]pyrazolidin-3-one
CID 1473557
ST50036284
CID 1534297
2-(dimethylamino)-N-[1,1-dimethyl-2-(1-pyrrolidinyl)ethyl]-2-(4-methylphenyl)acetamide
CID 72855586
2-(Diethylamino)-2-phenylacetohydrazide
CID 234312
Triethyl-(4-hydrazinocarbonyl-benzyl)-ammonium iodide
CID 85983339
(s)-1-Benzylpyrrolidine-2-carbohydrazide
CID 92659257
(4R,5R)-4-[bis(prop-2-enyl)amino]-5-phenylpyrazolidin-3-one
CID 102011114
N-(3-benzyl-2-oxoimidazolidin-1-yl)-2-phenylacetamide
CID 134915348

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]phenyl]acetohydrazide?
The IUPAC name of 2-[4-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]phenyl]acetohydrazide (CID 105351782) is 2-[4-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]phenyl]acetohydrazide.
What is the SMILES notation for 2-[4-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]phenyl]acetohydrazide?
The canonical SMILES for 2-[4-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]phenyl]acetohydrazide is CN(CCN1CCCC1)Cc1ccc(CC(=O)NN)cc1.
What is the InChIKey of 2-[4-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]phenyl]acetohydrazide?
The InChIKey is ZWPLNMVMSZQVRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-19(10-11-20-8-2-3-9-20)13-15-6-4-14(5-7-15)12-16(21)18-17/h4-7H,2-3,8-13,17H2,1H3,(H,18,21).
What are the key properties of 2-[4-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]phenyl]acetohydrazide?
2-[4-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]phenyl]acetohydrazide has a molecular weight of 290.41 g/mol, XLogP of 0.75, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]phenyl]acetohydrazide is sourced from PubChem (CID 105351782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).