2-[4-[2-(3-morpholin-4-ylphenyl)ethyl]phenyl]acetohydrazide;dihydrochloride

C20H27Cl2N3O2 — CID 67030157

IUPAC2-[4-[2-(3-morpholin-4-ylphenyl)ethyl]phenyl]acetohydrazide;dihydrochloride
SMILESCl.Cl.NNC(=O)Cc1ccc(CCc2cccc(N3CCOCC3)c2)cc1
InChIInChI=1S/C20H25N3O2.2ClH/c21-22-20(24)15-18-8-5-16(6-9-18)4-7-17-2-1-3-19(14-17)23-10-12-25-13-11-23;;/h1-3,5-6,8-9,14H,4,7,10-13,15,21H2,(H,22,24);2*1H
InChIKeyCNCSTOCWEILMQG-UHFFFAOYSA-N
MW412.36 g/mol
LogP2.68
Rot. Bonds6

About 2-[4-[2-(3-morpholin-4-ylphenyl)ethyl]phenyl]acetohydrazide;dihydrochloride

2-[4-[2-(3-morpholin-4-ylphenyl)ethyl]phenyl]acetohydrazide;dihydrochloride (PubChem CID 67030157) has the molecular formula C20H27Cl2N3O2 and a molecular weight of 412.36 g/mol. Its IUPAC name is 2-[4-[2-(3-morpholin-4-ylphenyl)ethyl]phenyl]acetohydrazide;dihydrochloride.

Molecular Properties

Compound Name2-[4-[2-(3-morpholin-4-ylphenyl)ethyl]phenyl]acetohydrazide;dihydrochloride
PubChem CID67030157
Molecular FormulaC20H27Cl2N3O2
Molecular Weight412.36 g/mol
Exact Mass411.15
IUPAC Name2-[4-[2-(3-morpholin-4-ylphenyl)ethyl]phenyl]acetohydrazide;dihydrochloride
SMILESCl.Cl.NNC(=O)Cc1ccc(CCc2cccc(N3CCOCC3)c2)cc1
InChIInChI=1S/C20H25N3O2.2ClH/c21-22-20(24)15-18-8-5-16(6-9-18)4-7-17-2-1-3-19(14-17)23-10-12-25-13-11-23;;/h1-3,5-6,8-9,14H,4,7,10-13,15,21H2,(H,22,24);2*1H
InChIKeyCNCSTOCWEILMQG-UHFFFAOYSA-N
XLogP2.68
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.36
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-[4-(morpholin-4-ylmethyl)phenyl]ethyl]phenyl]acetohydrazide;dihydrochloride
CID 67030384
4-[3-[2-(4-methylphenyl)ethyl]phenyl]morpholine
CID 59545940
2-[4-[2-(4-pyrrolidin-1-ylphenyl)ethyl]phenyl]acetohydrazide
CID 44539373
6-[2-(3-morpholin-4-ylphenyl)ethyl]-1-benzofuran-2-carboxylic acid
CID 159769323
2-(3-morpholin-4-ylphenyl)ethanol
CID 11788996
N-[2-(3-morpholin-4-ylanilino)-2-oxoethyl]-2-phenylacetamide
CID 87042458
2-[4-[2-[3-(dimethylamino)phenyl]ethyl]phenyl]acetohydrazide
CID 44539467
1-(3-morpholin-4-ylphenyl)propan-2-amine
CID 117314833
N-[2-(4-chlorophenyl)ethyl]-2-(4-morpholin-4-ylphenyl)acetamide
CID 110412816
N-(2-fluoro-5-morpholin-4-ylphenyl)-2-phenylacetamide
CID 110362608
4-[2-(3-morpholin-4-ylphenyl)acetyl]morpholine-2-carboxamide
CID 102562606

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(3-morpholin-4-ylphenyl)ethyl]phenyl]acetohydrazide;dihydrochloride?
The IUPAC name of 2-[4-[2-(3-morpholin-4-ylphenyl)ethyl]phenyl]acetohydrazide;dihydrochloride (CID 67030157) is 2-[4-[2-(3-morpholin-4-ylphenyl)ethyl]phenyl]acetohydrazide;dihydrochloride.
What is the SMILES notation for 2-[4-[2-(3-morpholin-4-ylphenyl)ethyl]phenyl]acetohydrazide;dihydrochloride?
The canonical SMILES for 2-[4-[2-(3-morpholin-4-ylphenyl)ethyl]phenyl]acetohydrazide;dihydrochloride is Cl.Cl.NNC(=O)Cc1ccc(CCc2cccc(N3CCOCC3)c2)cc1.
What is the InChIKey of 2-[4-[2-(3-morpholin-4-ylphenyl)ethyl]phenyl]acetohydrazide;dihydrochloride?
The InChIKey is CNCSTOCWEILMQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2.2ClH/c21-22-20(24)15-18-8-5-16(6-9-18)4-7-17-2-1-3-19(14-17)23-10-12-25-13-11-23;;/h1-3,5-6,8-9,14H,4,7,10-13,15,21H2,(H,22,24);2*1H.
What are the key properties of 2-[4-[2-(3-morpholin-4-ylphenyl)ethyl]phenyl]acetohydrazide;dihydrochloride?
2-[4-[2-(3-morpholin-4-ylphenyl)ethyl]phenyl]acetohydrazide;dihydrochloride has a molecular weight of 412.36 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(3-morpholin-4-ylphenyl)ethyl]phenyl]acetohydrazide;dihydrochloride is sourced from PubChem (CID 67030157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).