(3R)-4-(4-butoxyphenyl)-3-hydrazinylbutan-2-one

C14H22N2O2 — CID 71196039

IUPAC(3R)-4-(4-butoxyphenyl)-3-hydrazinylbutan-2-one
SMILESCCCCOc1ccc(C[C@@H](NN)C(C)=O)cc1
InChIInChI=1S/C14H22N2O2/c1-3-4-9-18-13-7-5-12(6-8-13)10-14(16-15)11(2)17/h5-8,14,16H,3-4,9-10,15H2,1-2H3/t14-/m1/s1
InChIKeyOPOHFMLSQABALG-CQSZACIVSA-N
MW250.34 g/mol
LogP1.83
Rot. Bonds8

About (3R)-4-(4-butoxyphenyl)-3-hydrazinylbutan-2-one

(3R)-4-(4-butoxyphenyl)-3-hydrazinylbutan-2-one (PubChem CID 71196039) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is (3R)-4-(4-butoxyphenyl)-3-hydrazinylbutan-2-one.

Molecular Properties

Compound Name(3R)-4-(4-butoxyphenyl)-3-hydrazinylbutan-2-one
PubChem CID71196039
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name(3R)-4-(4-butoxyphenyl)-3-hydrazinylbutan-2-one
SMILESCCCCOc1ccc(C[C@@H](NN)C(C)=O)cc1
InChIInChI=1S/C14H22N2O2/c1-3-4-9-18-13-7-5-12(6-8-13)10-14(16-15)11(2)17/h5-8,14,16H,3-4,9-10,15H2,1-2H3/t14-/m1/s1
InChIKeyOPOHFMLSQABALG-CQSZACIVSA-N
XLogP1.83
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (3R)-4-(4-butoxyphenyl)-3-hydrazinylbutan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-amino-3-(4-butoxyphenyl)-N-hydroxypropanamide
CID 87750253
(2S)-2-amino-3-(4-undecoxyphenyl)propanoic acid
CID 102330984
methyl 3-(4-butoxyphenyl)-2-formamidopropanoate
CID 90060303
CID 176706842
CID 176706842
(3R)-4-(4-butoxyphenyl)-3-hydroxybutanoic acid
CID 125466201
(3S)-4-(4-butoxyphenyl)-3-hydroxybutanoic acid
CID 125466202
(2R)-2-[(4-butoxyphenyl)methylamino]-3-phenylpropanoic acid
CID 120511483
hexyl (2S)-2-hydrazinyl-3-(4-hydroxyphenyl)propanoate
CID 141493620
methyl (2S)-3-(4-butoxyphenyl)-2-(phenylmethoxycarbonylamino)propanoate
CID 68523256
2-[4-(3-chloropropoxy)phenyl]-N-(3-oxo-1-phenylbutan-2-yl)acetamide
CID 14171592
methyl (2R)-3-(4-butoxyphenyl)-2-methylsulfonyloxypropanoate
CID 175793300
bis[(4-butoxyphenyl)methyl] oxalate
CID 23367588

Frequently Asked Questions

What is the IUPAC name of (3R)-4-(4-butoxyphenyl)-3-hydrazinylbutan-2-one?
The IUPAC name of (3R)-4-(4-butoxyphenyl)-3-hydrazinylbutan-2-one (CID 71196039) is (3R)-4-(4-butoxyphenyl)-3-hydrazinylbutan-2-one.
What is the SMILES notation for (3R)-4-(4-butoxyphenyl)-3-hydrazinylbutan-2-one?
The canonical SMILES for (3R)-4-(4-butoxyphenyl)-3-hydrazinylbutan-2-one is CCCCOc1ccc(C[C@@H](NN)C(C)=O)cc1.
What is the InChIKey of (3R)-4-(4-butoxyphenyl)-3-hydrazinylbutan-2-one?
The InChIKey is OPOHFMLSQABALG-CQSZACIVSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-3-4-9-18-13-7-5-12(6-8-13)10-14(16-15)11(2)17/h5-8,14,16H,3-4,9-10,15H2,1-2H3/t14-/m1/s1.
What are the key properties of (3R)-4-(4-butoxyphenyl)-3-hydrazinylbutan-2-one?
(3R)-4-(4-butoxyphenyl)-3-hydrazinylbutan-2-one has a molecular weight of 250.34 g/mol, XLogP of 1.83, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-(4-butoxyphenyl)-3-hydrazinylbutan-2-one is sourced from PubChem (CID 71196039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).