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

C21H28N2O4 — CID 7742291

IUPACN'-[2-(1-adamantyl)acetyl]-3,5-dimethoxybenzohydrazide
SMILESCOc1cc(OC)cc(C(=O)NNC(=O)CC23CC4CC(CC(C4)C2)C3)c1
InChIInChI=1S/C21H28N2O4/c1-26-17-6-16(7-18(8-17)27-2)20(25)23-22-19(24)12-21-9-13-3-14(10-21)5-15(4-13)11-21/h6-8,13-15H,3-5,9-12H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyGRDHABWGYRDDHC-UHFFFAOYSA-N
MW372.47 g/mol
LogP3.07
Rot. Bonds5

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

N'-[2-(1-adamantyl)acetyl]-3,5-dimethoxybenzohydrazide (PubChem CID 7742291) has the molecular formula C21H28N2O4 and a molecular weight of 372.47 g/mol. Its IUPAC name is N'-[2-(1-adamantyl)acetyl]-3,5-dimethoxybenzohydrazide.

Molecular Properties

Compound NameN'-[2-(1-adamantyl)acetyl]-3,5-dimethoxybenzohydrazide
PubChem CID7742291
Molecular FormulaC21H28N2O4
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC NameN'-[2-(1-adamantyl)acetyl]-3,5-dimethoxybenzohydrazide
SMILESCOc1cc(OC)cc(C(=O)NNC(=O)CC23CC4CC(CC(C4)C2)C3)c1
InChIInChI=1S/C21H28N2O4/c1-26-17-6-16(7-18(8-17)27-2)20(25)23-22-19(24)12-21-9-13-3-14(10-21)5-15(4-13)11-21/h6-8,13-15H,3-5,9-12H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyGRDHABWGYRDDHC-UHFFFAOYSA-N
XLogP3.07
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 53.07
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-(3,5-dimethoxyphenyl)propanehydrazide
CID 9086066
N'-[2-(1-adamantyl)acetyl]-3-ethoxy-4-methoxybenzohydrazide
CID 26177229
N-[2-[2-[2-(1-adamantyl)acetyl]hydrazinyl]-2-oxoethyl]-3,4,5-trimethoxybenzamide
CID 27562092
N'-[2-(1-adamantyl)acetyl]-4-tert-butylbenzohydrazide
CID 7917870
2-[4-[[[2-(1-adamantyl)acetyl]amino]carbamoyl]-2-methoxyphenoxy]acetamide
CID 9086076
N'-[2-(1-adamantyl)acetyl]-4-fluorobenzohydrazide
CID 7742285
N'-[2-(1-adamantyl)acetyl]-3-bromobenzohydrazide
CID 40596742
N'-[2-(1-adamantyl)acetyl]-4-(methylsulfanylmethyl)benzohydrazide
CID 7978897
N'-[2-(1-adamantyl)acetyl]-2-chloropyridine-4-carbohydrazide
CID 34056969
N'-[2-(1-adamantyl)acetyl]-2-methoxypyridine-3-carbohydrazide
CID 46548907
N-[1-(1-adamantyl)ethyl]-3,5-dimethoxybenzamide
CID 2834608
N'-[2-(1-adamantyl)acetyl]pyridine-3-carbohydrazide
CID 26641233

Frequently Asked Questions

What is the IUPAC name of N'-[2-(1-adamantyl)acetyl]-3,5-dimethoxybenzohydrazide?
The IUPAC name of N'-[2-(1-adamantyl)acetyl]-3,5-dimethoxybenzohydrazide (CID 7742291) is N'-[2-(1-adamantyl)acetyl]-3,5-dimethoxybenzohydrazide.
What is the SMILES notation for N'-[2-(1-adamantyl)acetyl]-3,5-dimethoxybenzohydrazide?
The canonical SMILES for N'-[2-(1-adamantyl)acetyl]-3,5-dimethoxybenzohydrazide is COc1cc(OC)cc(C(=O)NNC(=O)CC23CC4CC(CC(C4)C2)C3)c1.
What is the InChIKey of N'-[2-(1-adamantyl)acetyl]-3,5-dimethoxybenzohydrazide?
The InChIKey is GRDHABWGYRDDHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4/c1-26-17-6-16(7-18(8-17)27-2)20(25)23-22-19(24)12-21-9-13-3-14(10-21)5-15(4-13)11-21/h6-8,13-15H,3-5,9-12H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N'-[2-(1-adamantyl)acetyl]-3,5-dimethoxybenzohydrazide?
N'-[2-(1-adamantyl)acetyl]-3,5-dimethoxybenzohydrazide has a molecular weight of 372.47 g/mol, XLogP of 3.07, 5 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]-3,5-dimethoxybenzohydrazide is sourced from PubChem (CID 7742291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).