N'-[2-(1-adamantyl)acetyl]-3-(3,5-dimethoxyphenyl)propanehydrazide

C23H32N2O4 — CID 9086066

IUPACN'-[2-(1-adamantyl)acetyl]-3-(3,5-dimethoxyphenyl)propanehydrazide
SMILESCOc1cc(CCC(=O)NNC(=O)CC23CC4CC(CC(C4)C2)C3)cc(OC)c1
InChIInChI=1S/C23H32N2O4/c1-28-19-8-15(9-20(10-19)29-2)3-4-21(26)24-25-22(27)14-23-11-16-5-17(12-23)7-18(6-16)13-23/h8-10,16-18H,3-7,11-14H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyUOALQKVMYNVEMX-UHFFFAOYSA-N
MW400.52 g/mol
LogP3.39
Rot. Bonds7

About N'-[2-(1-adamantyl)acetyl]-3-(3,5-dimethoxyphenyl)propanehydrazide

N'-[2-(1-adamantyl)acetyl]-3-(3,5-dimethoxyphenyl)propanehydrazide (PubChem CID 9086066) has the molecular formula C23H32N2O4 and a molecular weight of 400.52 g/mol. Its IUPAC name is N'-[2-(1-adamantyl)acetyl]-3-(3,5-dimethoxyphenyl)propanehydrazide.

Molecular Properties

Compound NameN'-[2-(1-adamantyl)acetyl]-3-(3,5-dimethoxyphenyl)propanehydrazide
PubChem CID9086066
Molecular FormulaC23H32N2O4
Molecular Weight400.52 g/mol
Exact Mass400.24
IUPAC NameN'-[2-(1-adamantyl)acetyl]-3-(3,5-dimethoxyphenyl)propanehydrazide
SMILESCOc1cc(CCC(=O)NNC(=O)CC23CC4CC(CC(C4)C2)C3)cc(OC)c1
InChIInChI=1S/C23H32N2O4/c1-28-19-8-15(9-20(10-19)29-2)3-4-21(26)24-25-22(27)14-23-11-16-5-17(12-23)7-18(6-16)13-23/h8-10,16-18H,3-7,11-14H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyUOALQKVMYNVEMX-UHFFFAOYSA-N
XLogP3.39
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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]-3,5-dimethoxybenzohydrazide
CID 7742291
N'-[2-(1-adamantyl)acetyl]-3-(3,4-difluorophenyl)propanehydrazide
CID 55605333
N'-[2-(1-adamantyl)acetyl]-2-(3-fluoro-4-methoxyphenyl)acetohydrazide
CID 9326362
1-cyclopentyl-3-[3-(3,5-dimethoxyphenyl)propanoylamino]thiourea
CID 9090148
2-[2-[3-(3,5-dimethoxyphenyl)propanoyl]hydrazinyl]-2-oxo-N-propan-2-ylacetamide
CID 8532198
2-(1-adamantyl)-N'-[2-[(Z)-(4-methoxyphenyl)methylideneamino]oxyacetyl]acetohydrazide
CID 9474937
N'-[2-(3-hydroxy-1-adamantyl)acetyl]-2-(4-methoxyphenyl)acetohydrazide
CID 24553914
4-bromo-N'-[3-(3,5-dimethoxyphenyl)propanoyl]-1-methylpyrrole-2-carbohydrazide
CID 27037391
2-(1-adamantyl)-N'-[2-(4-ethoxyphenoxy)acetyl]acetohydrazide
CID 9475144
N'-[2-(1-adamantyl)acetyl]-4-(4-methylphenyl)-4-oxobutanehydrazide
CID 26854795
3-(3,5-dimethoxyphenyl)-N'-[2-(1,1-dioxothiolan-3-yl)acetyl]propanehydrazide
CID 46463274
N-[2-[2-[2-(1-adamantyl)acetyl]hydrazinyl]-2-oxoethyl]-3,4,5-trimethoxybenzamide
CID 27562092

Frequently Asked Questions

What is the IUPAC name of N'-[2-(1-adamantyl)acetyl]-3-(3,5-dimethoxyphenyl)propanehydrazide?
The IUPAC name of N'-[2-(1-adamantyl)acetyl]-3-(3,5-dimethoxyphenyl)propanehydrazide (CID 9086066) is N'-[2-(1-adamantyl)acetyl]-3-(3,5-dimethoxyphenyl)propanehydrazide.
What is the SMILES notation for N'-[2-(1-adamantyl)acetyl]-3-(3,5-dimethoxyphenyl)propanehydrazide?
The canonical SMILES for N'-[2-(1-adamantyl)acetyl]-3-(3,5-dimethoxyphenyl)propanehydrazide is COc1cc(CCC(=O)NNC(=O)CC23CC4CC(CC(C4)C2)C3)cc(OC)c1.
What is the InChIKey of N'-[2-(1-adamantyl)acetyl]-3-(3,5-dimethoxyphenyl)propanehydrazide?
The InChIKey is UOALQKVMYNVEMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O4/c1-28-19-8-15(9-20(10-19)29-2)3-4-21(26)24-25-22(27)14-23-11-16-5-17(12-23)7-18(6-16)13-23/h8-10,16-18H,3-7,11-14H2,1-2H3,(H,24,26)(H,25,27).
What are the key properties of N'-[2-(1-adamantyl)acetyl]-3-(3,5-dimethoxyphenyl)propanehydrazide?
N'-[2-(1-adamantyl)acetyl]-3-(3,5-dimethoxyphenyl)propanehydrazide has a molecular weight of 400.52 g/mol, XLogP of 3.39, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(1-adamantyl)acetyl]-3-(3,5-dimethoxyphenyl)propanehydrazide is sourced from PubChem (CID 9086066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).