2-[4-[2-(4-pyrrolidin-1-ylphenyl)ethyl]phenyl]acetohydrazide

C20H25N3O — CID 44539373

IUPAC2-[4-[2-(4-pyrrolidin-1-ylphenyl)ethyl]phenyl]acetohydrazide
SMILESNNC(=O)Cc1ccc(CCc2ccc(N3CCCC3)cc2)cc1
InChIInChI=1S/C20H25N3O/c21-22-20(24)15-18-7-5-16(6-8-18)3-4-17-9-11-19(12-10-17)23-13-1-2-14-23/h5-12H,1-4,13-15,21H2,(H,22,24)
InChIKeyDMNVMXGOFPWMRB-UHFFFAOYSA-N
MW323.44 g/mol
LogP2.60
Rot. Bonds6

About 2-[4-[2-(4-pyrrolidin-1-ylphenyl)ethyl]phenyl]acetohydrazide

2-[4-[2-(4-pyrrolidin-1-ylphenyl)ethyl]phenyl]acetohydrazide (PubChem CID 44539373) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is 2-[4-[2-(4-pyrrolidin-1-ylphenyl)ethyl]phenyl]acetohydrazide.

Molecular Properties

Compound Name2-[4-[2-(4-pyrrolidin-1-ylphenyl)ethyl]phenyl]acetohydrazide
PubChem CID44539373
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name2-[4-[2-(4-pyrrolidin-1-ylphenyl)ethyl]phenyl]acetohydrazide
SMILESNNC(=O)Cc1ccc(CCc2ccc(N3CCCC3)cc2)cc1
InChIInChI=1S/C20H25N3O/c21-22-20(24)15-18-7-5-16(6-8-18)3-4-17-9-11-19(12-10-17)23-13-1-2-14-23/h5-12H,1-4,13-15,21H2,(H,22,24)
InChIKeyDMNVMXGOFPWMRB-UHFFFAOYSA-N
XLogP2.60
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'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-[2-(2-piperidin-1-ylpyrimidin-5-yl)ethyl]phenyl]acetohydrazide;dihydrochloride
CID 67030490
3-[4-[2-(4-pyrrolidin-1-ylphenyl)ethyl]phenyl]prop-1-en-2-amine
CID 118185239
2-[4-[2-(3-morpholin-4-ylphenyl)ethyl]phenyl]acetohydrazide;dihydrochloride
CID 67030157
2-(4-chlorophenyl)-N-[2-(4-piperidin-1-ylphenyl)ethyl]acetamide
CID 16890076
4-pyrrolidin-1-ylbenzohydrazide;hydrochloride
CID 163230065
N-propan-2-yl-3-(4-pyrrolidin-1-ylphenyl)propanamide
CID 110647246
2-methyl-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]propanamide
CID 16889525
N-[(4-pyrrolidin-1-ylphenyl)methyl]-2-(4-pyrrol-1-ylphenyl)acetamide
CID 35619356
ethyl 3-[4-(azepan-1-yl)phenyl]propanoate
CID 59859896
2-[4-[2-[4-(4-acetylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]ethyl]phenyl]acetohydrazide;dihydrochloride
CID 67030804
1-pyrrolidin-1-yl-3-(4-pyrrolidin-1-ylphenyl)propan-1-one
CID 110647409
N-(2-chlorophenyl)-2-(4-pyrrolidin-1-ylphenyl)acetamide
CID 110649990

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(4-pyrrolidin-1-ylphenyl)ethyl]phenyl]acetohydrazide?
The IUPAC name of 2-[4-[2-(4-pyrrolidin-1-ylphenyl)ethyl]phenyl]acetohydrazide (CID 44539373) is 2-[4-[2-(4-pyrrolidin-1-ylphenyl)ethyl]phenyl]acetohydrazide.
What is the SMILES notation for 2-[4-[2-(4-pyrrolidin-1-ylphenyl)ethyl]phenyl]acetohydrazide?
The canonical SMILES for 2-[4-[2-(4-pyrrolidin-1-ylphenyl)ethyl]phenyl]acetohydrazide is NNC(=O)Cc1ccc(CCc2ccc(N3CCCC3)cc2)cc1.
What is the InChIKey of 2-[4-[2-(4-pyrrolidin-1-ylphenyl)ethyl]phenyl]acetohydrazide?
The InChIKey is DMNVMXGOFPWMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c21-22-20(24)15-18-7-5-16(6-8-18)3-4-17-9-11-19(12-10-17)23-13-1-2-14-23/h5-12H,1-4,13-15,21H2,(H,22,24).
What are the key properties of 2-[4-[2-(4-pyrrolidin-1-ylphenyl)ethyl]phenyl]acetohydrazide?
2-[4-[2-(4-pyrrolidin-1-ylphenyl)ethyl]phenyl]acetohydrazide has a molecular weight of 323.44 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(4-pyrrolidin-1-ylphenyl)ethyl]phenyl]acetohydrazide is sourced from PubChem (CID 44539373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).