N-[3-[2-[2-(2-cyanophenoxy)acetyl]hydrazinyl]-3-oxopropyl]adamantane-1-carboxamide

C23H28N4O4 — CID 8640098

IUPACN-[3-[2-[2-(2-cyanophenoxy)acetyl]hydrazinyl]-3-oxopropyl]adamantane-1-carboxamide
SMILESN#Cc1ccccc1OCC(=O)NNC(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C23H28N4O4/c24-13-18-3-1-2-4-19(18)31-14-21(29)27-26-20(28)5-6-25-22(30)23-10-15-7-16(11-23)9-17(8-15)12-23/h1-4,15-17H,5-12,14H2,(H,25,30)(H,26,28)(H,27,29)
InChIKeyXIEAWQIMBDMIDU-UHFFFAOYSA-N
MW424.50 g/mol
LogP1.81
Rot. Bonds7

About N-[3-[2-[2-(2-cyanophenoxy)acetyl]hydrazinyl]-3-oxopropyl]adamantane-1-carboxamide

N-[3-[2-[2-(2-cyanophenoxy)acetyl]hydrazinyl]-3-oxopropyl]adamantane-1-carboxamide (PubChem CID 8640098) has the molecular formula C23H28N4O4 and a molecular weight of 424.50 g/mol. Its IUPAC name is N-[3-[2-[2-(2-cyanophenoxy)acetyl]hydrazinyl]-3-oxopropyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[3-[2-[2-(2-cyanophenoxy)acetyl]hydrazinyl]-3-oxopropyl]adamantane-1-carboxamide
PubChem CID8640098
Molecular FormulaC23H28N4O4
Molecular Weight424.50 g/mol
Exact Mass424.21
IUPAC NameN-[3-[2-[2-(2-cyanophenoxy)acetyl]hydrazinyl]-3-oxopropyl]adamantane-1-carboxamide
SMILESN#Cc1ccccc1OCC(=O)NNC(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C23H28N4O4/c24-13-18-3-1-2-4-19(18)31-14-21(29)27-26-20(28)5-6-25-22(30)23-10-15-7-16(11-23)9-17(8-15)12-23/h1-4,15-17H,5-12,14H2,(H,25,30)(H,26,28)(H,27,29)
InChIKeyXIEAWQIMBDMIDU-UHFFFAOYSA-N
XLogP1.81
TPSA120.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[2-[2-(2-cyanophenoxy)acetyl]hydrazinyl]-3-oxopropyl]benzamide
CID 4846808
N-[2-[2-[2-(2-butan-2-ylphenoxy)acetyl]hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide
CID 2967181
2-(1-adamantyl)-N-[2-[2-[2-(4-fluorophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]acetamide
CID 4820877
2-(1-adamantyl)-N-[2-[2-[2-(2-fluorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]acetamide
CID 7809047
N-[2-[2-[(2S)-2-(2-fluorophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]adamantane-1-carboxamide
CID 7910855
N-[2-[2-[(2R)-2-(2-fluorophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]adamantane-1-carboxamide
CID 7910856
N-[2-[2-[(2S)-2-(4-fluorophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]adamantane-1-carboxamide
CID 7965128
N-[2-[2-[(2R)-2-(4-fluorophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]adamantane-1-carboxamide
CID 7965130
2-(1-adamantyl)-N-[2-[2-[2-(4-fluorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]acetamide
CID 8130411
N-[3-[2-[2-(2-fluorophenoxy)acetyl]hydrazinyl]-3-oxopropyl]adamantane-1-carboxamide
CID 8636136
N-[(2S)-1-[2-[2-(2-fluorophenoxy)acetyl]hydrazinyl]-1-oxopropan-2-yl]adamantane-1-carboxamide
CID 9323563
N-[(2S)-1-[2-[2-(4-fluorophenoxy)acetyl]hydrazinyl]-1-oxopropan-2-yl]adamantane-1-carboxamide
CID 9379118

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[2-(2-cyanophenoxy)acetyl]hydrazinyl]-3-oxopropyl]adamantane-1-carboxamide?
The IUPAC name of N-[3-[2-[2-(2-cyanophenoxy)acetyl]hydrazinyl]-3-oxopropyl]adamantane-1-carboxamide (CID 8640098) is N-[3-[2-[2-(2-cyanophenoxy)acetyl]hydrazinyl]-3-oxopropyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[3-[2-[2-(2-cyanophenoxy)acetyl]hydrazinyl]-3-oxopropyl]adamantane-1-carboxamide?
The canonical SMILES for N-[3-[2-[2-(2-cyanophenoxy)acetyl]hydrazinyl]-3-oxopropyl]adamantane-1-carboxamide is N#Cc1ccccc1OCC(=O)NNC(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[3-[2-[2-(2-cyanophenoxy)acetyl]hydrazinyl]-3-oxopropyl]adamantane-1-carboxamide?
The InChIKey is XIEAWQIMBDMIDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O4/c24-13-18-3-1-2-4-19(18)31-14-21(29)27-26-20(28)5-6-25-22(30)23-10-15-7-16(11-23)9-17(8-15)12-23/h1-4,15-17H,5-12,14H2,(H,25,30)(H,26,28)(H,27,29).
What are the key properties of N-[3-[2-[2-(2-cyanophenoxy)acetyl]hydrazinyl]-3-oxopropyl]adamantane-1-carboxamide?
N-[3-[2-[2-(2-cyanophenoxy)acetyl]hydrazinyl]-3-oxopropyl]adamantane-1-carboxamide has a molecular weight of 424.50 g/mol, XLogP of 1.81, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[2-(2-cyanophenoxy)acetyl]hydrazinyl]-3-oxopropyl]adamantane-1-carboxamide is sourced from PubChem (CID 8640098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).