2-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethyl]phenyl]acetohydrazide;dihydrochloride

C21H29Cl2N3O2 — CID 67030384

IUPAC2-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethyl]phenyl]acetohydrazide;dihydrochloride
SMILESCl.Cl.NNC(=O)Cc1ccc(CCc2ccc(CN3CCOCC3)cc2)cc1
InChIInChI=1S/C21H27N3O2.2ClH/c22-23-21(25)15-19-7-3-17(4-8-19)1-2-18-5-9-20(10-6-18)16-24-11-13-26-14-12-24;;/h3-10H,1-2,11-16,22H2,(H,23,25);2*1H
InChIKeyABIPURFTANVVLM-UHFFFAOYSA-N
MW426.39 g/mol
LogP2.68
Rot. Bonds7

About 2-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethyl]phenyl]acetohydrazide;dihydrochloride

2-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethyl]phenyl]acetohydrazide;dihydrochloride (PubChem CID 67030384) has the molecular formula C21H29Cl2N3O2 and a molecular weight of 426.39 g/mol. Its IUPAC name is 2-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethyl]phenyl]acetohydrazide;dihydrochloride.

Molecular Properties

Compound Name2-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethyl]phenyl]acetohydrazide;dihydrochloride
PubChem CID67030384
Molecular FormulaC21H29Cl2N3O2
Molecular Weight426.39 g/mol
Exact Mass425.16
IUPAC Name2-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethyl]phenyl]acetohydrazide;dihydrochloride
SMILESCl.Cl.NNC(=O)Cc1ccc(CCc2ccc(CN3CCOCC3)cc2)cc1
InChIInChI=1S/C21H27N3O2.2ClH/c22-23-21(25)15-19-7-3-17(4-8-19)1-2-18-5-9-20(10-6-18)16-24-11-13-26-14-12-24;;/h3-10H,1-2,11-16,22H2,(H,23,25);2*1H
InChIKeyABIPURFTANVVLM-UHFFFAOYSA-N
XLogP2.68
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.39
LogP ≤ 52.68
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

methane;2-[4-[2-[3-(morpholin-4-ylmethyl)phenyl]ethyl]phenyl]acetohydrazide
CID 158357127
2-[4-[2-(3-morpholin-4-ylphenyl)ethyl]phenyl]acetohydrazide;dihydrochloride
CID 67030157
2-[4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]acetohydrazide
CID 105351597
2-amino-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 60672694
2-[4-[[4-(dimethylamino)piperidin-1-yl]methyl]phenyl]acetohydrazide
CID 105351724
2-[4-[(2-cyanomorpholin-4-yl)methyl]phenyl]acetohydrazide
CID 105352027
3-[4-(morpholin-4-ylmethyl)phenyl]propan-1-amine
CID 83384330
CID 59303659
CID 59303659
methyl 4-(morpholin-4-ylmethyl)benzoate
CID 10466592
[4-(morpholin-4-ylmethyl)phenyl] carbamate
CID 175493722
2-(4-aminopiperidin-1-yl)-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide;dihydrochloride
CID 119908408
N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]hydroxylamine
CID 117318560

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethyl]phenyl]acetohydrazide;dihydrochloride?
The IUPAC name of 2-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethyl]phenyl]acetohydrazide;dihydrochloride (CID 67030384) is 2-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethyl]phenyl]acetohydrazide;dihydrochloride.
What is the SMILES notation for 2-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethyl]phenyl]acetohydrazide;dihydrochloride?
The canonical SMILES for 2-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethyl]phenyl]acetohydrazide;dihydrochloride is Cl.Cl.NNC(=O)Cc1ccc(CCc2ccc(CN3CCOCC3)cc2)cc1.
What is the InChIKey of 2-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethyl]phenyl]acetohydrazide;dihydrochloride?
The InChIKey is ABIPURFTANVVLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2.2ClH/c22-23-21(25)15-19-7-3-17(4-8-19)1-2-18-5-9-20(10-6-18)16-24-11-13-26-14-12-24;;/h3-10H,1-2,11-16,22H2,(H,23,25);2*1H.
What are the key properties of 2-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethyl]phenyl]acetohydrazide;dihydrochloride?
2-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethyl]phenyl]acetohydrazide;dihydrochloride has a molecular weight of 426.39 g/mol, XLogP of 2.68, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethyl]phenyl]acetohydrazide;dihydrochloride is sourced from PubChem (CID 67030384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).