1-[2-[2-[2-(1-adamantyl)acetyl]hydrazinyl]-2-oxoethyl]-3-[(4-fluorophenyl)methyl]urea

C22H29FN4O3 — CID 24664912

IUPAC1-[2-[2-[2-(1-adamantyl)acetyl]hydrazinyl]-2-oxoethyl]-3-[(4-fluorophenyl)methyl]urea
SMILESO=C(CNC(=O)NCc1ccc(F)cc1)NNC(=O)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H29FN4O3/c23-18-3-1-14(2-4-18)12-24-21(30)25-13-20(29)27-26-19(28)11-22-8-15-5-16(9-22)7-17(6-15)10-22/h1-4,15-17H,5-13H2,(H,26,28)(H,27,29)(H2,24,25,30)
InChIKeyUJJBBUYVLKFTPP-UHFFFAOYSA-N
MW416.50 g/mol
LogP2.38
Rot. Bonds6

About 1-[2-[2-[2-(1-adamantyl)acetyl]hydrazinyl]-2-oxoethyl]-3-[(4-fluorophenyl)methyl]urea

1-[2-[2-[2-(1-adamantyl)acetyl]hydrazinyl]-2-oxoethyl]-3-[(4-fluorophenyl)methyl]urea (PubChem CID 24664912) has the molecular formula C22H29FN4O3 and a molecular weight of 416.50 g/mol. Its IUPAC name is 1-[2-[2-[2-(1-adamantyl)acetyl]hydrazinyl]-2-oxoethyl]-3-[(4-fluorophenyl)methyl]urea.

Molecular Properties

Compound Name1-[2-[2-[2-(1-adamantyl)acetyl]hydrazinyl]-2-oxoethyl]-3-[(4-fluorophenyl)methyl]urea
PubChem CID24664912
Molecular FormulaC22H29FN4O3
Molecular Weight416.50 g/mol
Exact Mass416.22
IUPAC Name1-[2-[2-[2-(1-adamantyl)acetyl]hydrazinyl]-2-oxoethyl]-3-[(4-fluorophenyl)methyl]urea
SMILESO=C(CNC(=O)NCc1ccc(F)cc1)NNC(=O)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H29FN4O3/c23-18-3-1-14(2-4-18)12-24-21(30)25-13-20(29)27-26-19(28)11-22-8-15-5-16(9-22)7-17(6-15)10-22/h1-4,15-17H,5-13H2,(H,26,28)(H,27,29)(H2,24,25,30)
InChIKeyUJJBBUYVLKFTPP-UHFFFAOYSA-N
XLogP2.38
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.50
LogP ≤ 52.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(1-adamantyl)acetyl]-4-fluorobenzohydrazide
CID 7742285
2-(1-adamantyl)-N-benzylacetamide
CID 3560004
N'-[2-(1-adamantyl)acetyl]-3-(4-fluorophenyl)sulfonylpropanehydrazide
CID 9475003
N-[[4-[[2-(1-adamantyl)acetyl]amino]phenyl]methyl]-2,2,2-trifluoroacetamide
CID 108933649
2-(1-adamantyl)-N-[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl]acetamide
CID 9401804
N'-[2-(1-adamantyl)acetyl]-3-(3,4-difluorophenyl)propanehydrazide
CID 55605333
1-(1-adamantylmethyl)-3-[[4-(hydroxymethyl)phenyl]methyl]urea
CID 108870498
N-[3-[2-[2-(1-adamantyl)acetyl]hydrazinyl]-3-oxopropyl]-4-fluorobenzenesulfonamide
CID 34056933
1-[2-[2-(4-bromobenzoyl)hydrazinyl]-2-oxoethyl]-3-[(4-fluorophenyl)methyl]urea
CID 24640870
N-(3,5-dimethylphenyl)-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide
CID 24605652
2-(1-adamantyl)-N-[2-(4-fluorophenoxy)ethyl]acetamide
CID 17381712
2-(1-adamantyl)-N'-[2-(2-fluorophenoxy)acetyl]acetohydrazide
CID 18285136

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[2-(1-adamantyl)acetyl]hydrazinyl]-2-oxoethyl]-3-[(4-fluorophenyl)methyl]urea?
The IUPAC name of 1-[2-[2-[2-(1-adamantyl)acetyl]hydrazinyl]-2-oxoethyl]-3-[(4-fluorophenyl)methyl]urea (CID 24664912) is 1-[2-[2-[2-(1-adamantyl)acetyl]hydrazinyl]-2-oxoethyl]-3-[(4-fluorophenyl)methyl]urea.
What is the SMILES notation for 1-[2-[2-[2-(1-adamantyl)acetyl]hydrazinyl]-2-oxoethyl]-3-[(4-fluorophenyl)methyl]urea?
The canonical SMILES for 1-[2-[2-[2-(1-adamantyl)acetyl]hydrazinyl]-2-oxoethyl]-3-[(4-fluorophenyl)methyl]urea is O=C(CNC(=O)NCc1ccc(F)cc1)NNC(=O)CC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-[2-[2-[2-(1-adamantyl)acetyl]hydrazinyl]-2-oxoethyl]-3-[(4-fluorophenyl)methyl]urea?
The InChIKey is UJJBBUYVLKFTPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29FN4O3/c23-18-3-1-14(2-4-18)12-24-21(30)25-13-20(29)27-26-19(28)11-22-8-15-5-16(9-22)7-17(6-15)10-22/h1-4,15-17H,5-13H2,(H,26,28)(H,27,29)(H2,24,25,30).
What are the key properties of 1-[2-[2-[2-(1-adamantyl)acetyl]hydrazinyl]-2-oxoethyl]-3-[(4-fluorophenyl)methyl]urea?
1-[2-[2-[2-(1-adamantyl)acetyl]hydrazinyl]-2-oxoethyl]-3-[(4-fluorophenyl)methyl]urea has a molecular weight of 416.50 g/mol, XLogP of 2.38, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[2-(1-adamantyl)acetyl]hydrazinyl]-2-oxoethyl]-3-[(4-fluorophenyl)methyl]urea is sourced from PubChem (CID 24664912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).