2-[4-[2-[3-(dimethylamino)phenyl]ethyl]phenyl]acetohydrazide

C18H23N3O — CID 44539467

IUPAC2-[4-[2-[3-(dimethylamino)phenyl]ethyl]phenyl]acetohydrazide
SMILESCN(C)c1cccc(CCc2ccc(CC(=O)NN)cc2)c1
InChIInChI=1S/C18H23N3O/c1-21(2)17-5-3-4-15(12-17)9-6-14-7-10-16(11-8-14)13-18(22)20-19/h3-5,7-8,10-12H,6,9,13,19H2,1-2H3,(H,20,22)
InChIKeyHXWHVFUFTCSDNQ-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.07
Rot. Bonds6

About 2-[4-[2-[3-(dimethylamino)phenyl]ethyl]phenyl]acetohydrazide

2-[4-[2-[3-(dimethylamino)phenyl]ethyl]phenyl]acetohydrazide (PubChem CID 44539467) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 2-[4-[2-[3-(dimethylamino)phenyl]ethyl]phenyl]acetohydrazide.

Molecular Properties

Compound Name2-[4-[2-[3-(dimethylamino)phenyl]ethyl]phenyl]acetohydrazide
PubChem CID44539467
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name2-[4-[2-[3-(dimethylamino)phenyl]ethyl]phenyl]acetohydrazide
SMILESCN(C)c1cccc(CCc2ccc(CC(=O)NN)cc2)c1
InChIInChI=1S/C18H23N3O/c1-21(2)17-5-3-4-15(12-17)9-6-14-7-10-16(11-8-14)13-18(22)20-19/h3-5,7-8,10-12H,6,9,13,19H2,1-2H3,(H,20,22)
InChIKeyHXWHVFUFTCSDNQ-UHFFFAOYSA-N
XLogP2.07
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[2-(3,4-dimethylphenyl)ethyl]phenyl]acetohydrazide
CID 58181343
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
ethyl 3-[1-[3-(dimethylamino)phenyl]-3-(2-phenylethyl)indol-5-yl]propanoate
CID 68523558
N-[[3-(dimethylamino)phenyl]methyl]-3-oxobutanamide
CID 110470657
3-(4-aminophenyl)-N-[3-(dimethylamino)phenyl]propanamide
CID 115375741
3-(4-aminobutyl)-N,N-dimethylaniline
CID 117283311
3-[2-[3-[methyl-(2-phenylacetyl)amino]phenyl]ethyl]benzoic acid
CID 57069223
2-[3-(hydroxymethyl)phenyl]acetohydrazide
CID 153495753
dimethyl 2-[[4-[2-[3-(dimethylamino)phenyl]ethoxy]phenyl]methyl]propanedioate
CID 90904578
N-[[3-(dimethylamino)phenyl]methyl]-2-(1H-indol-3-yl)acetamide
CID 47088608
2-[4-[3-(dimethylamino)phenyl]phenyl]acetic acid
CID 39226081

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[3-(dimethylamino)phenyl]ethyl]phenyl]acetohydrazide?
The IUPAC name of 2-[4-[2-[3-(dimethylamino)phenyl]ethyl]phenyl]acetohydrazide (CID 44539467) is 2-[4-[2-[3-(dimethylamino)phenyl]ethyl]phenyl]acetohydrazide.
What is the SMILES notation for 2-[4-[2-[3-(dimethylamino)phenyl]ethyl]phenyl]acetohydrazide?
The canonical SMILES for 2-[4-[2-[3-(dimethylamino)phenyl]ethyl]phenyl]acetohydrazide is CN(C)c1cccc(CCc2ccc(CC(=O)NN)cc2)c1.
What is the InChIKey of 2-[4-[2-[3-(dimethylamino)phenyl]ethyl]phenyl]acetohydrazide?
The InChIKey is HXWHVFUFTCSDNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-21(2)17-5-3-4-15(12-17)9-6-14-7-10-16(11-8-14)13-18(22)20-19/h3-5,7-8,10-12H,6,9,13,19H2,1-2H3,(H,20,22).
What are the key properties of 2-[4-[2-[3-(dimethylamino)phenyl]ethyl]phenyl]acetohydrazide?
2-[4-[2-[3-(dimethylamino)phenyl]ethyl]phenyl]acetohydrazide has a molecular weight of 297.40 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[3-(dimethylamino)phenyl]ethyl]phenyl]acetohydrazide is sourced from PubChem (CID 44539467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).