2-(1-adamantyl)-N-[2-[2-[2-(4-fluorophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]acetamide

C23H30FN3O4 — CID 4820877

IUPAC2-(1-adamantyl)-N-[2-[2-[2-(4-fluorophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]acetamide
SMILESCC(Oc1ccc(F)cc1)C(=O)NNC(=O)CNC(=O)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C23H30FN3O4/c1-14(31-19-4-2-18(24)3-5-19)22(30)27-26-21(29)13-25-20(28)12-23-9-15-6-16(10-23)8-17(7-15)11-23/h2-5,14-17H,6-13H2,1H3,(H,25,28)(H,26,29)(H,27,30)
InChIKeyFRAKOEVRDPTGAD-UHFFFAOYSA-N
MW431.51 g/mol
LogP2.46
Rot. Bonds7

About 2-(1-adamantyl)-N-[2-[2-[2-(4-fluorophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]acetamide

2-(1-adamantyl)-N-[2-[2-[2-(4-fluorophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]acetamide (PubChem CID 4820877) has the molecular formula C23H30FN3O4 and a molecular weight of 431.51 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-[2-[2-[2-(4-fluorophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-[2-[2-[2-(4-fluorophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]acetamide
PubChem CID4820877
Molecular FormulaC23H30FN3O4
Molecular Weight431.51 g/mol
Exact Mass431.22
IUPAC Name2-(1-adamantyl)-N-[2-[2-[2-(4-fluorophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]acetamide
SMILESCC(Oc1ccc(F)cc1)C(=O)NNC(=O)CNC(=O)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C23H30FN3O4/c1-14(31-19-4-2-18(24)3-5-19)22(30)27-26-21(29)13-25-20(28)12-23-9-15-6-16(10-23)8-17(7-15)11-23/h2-5,14-17H,6-13H2,1H3,(H,25,28)(H,26,29)(H,27,30)
InChIKeyFRAKOEVRDPTGAD-UHFFFAOYSA-N
XLogP2.46
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.51
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-[2-[2-[2-(4-fluorophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]acetamide?
The IUPAC name of 2-(1-adamantyl)-N-[2-[2-[2-(4-fluorophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]acetamide (CID 4820877) is 2-(1-adamantyl)-N-[2-[2-[2-(4-fluorophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]acetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-[2-[2-[2-(4-fluorophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]acetamide?
The canonical SMILES for 2-(1-adamantyl)-N-[2-[2-[2-(4-fluorophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]acetamide is CC(Oc1ccc(F)cc1)C(=O)NNC(=O)CNC(=O)CC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 2-(1-adamantyl)-N-[2-[2-[2-(4-fluorophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]acetamide?
The InChIKey is FRAKOEVRDPTGAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30FN3O4/c1-14(31-19-4-2-18(24)3-5-19)22(30)27-26-21(29)13-25-20(28)12-23-9-15-6-16(10-23)8-17(7-15)11-23/h2-5,14-17H,6-13H2,1H3,(H,25,28)(H,26,29)(H,27,30).
What are the key properties of 2-(1-adamantyl)-N-[2-[2-[2-(4-fluorophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]acetamide?
2-(1-adamantyl)-N-[2-[2-[2-(4-fluorophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]acetamide has a molecular weight of 431.51 g/mol, XLogP of 2.46, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-[2-[2-[2-(4-fluorophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]acetamide is sourced from PubChem (CID 4820877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).