N'-[2-(1-adamantyl)acetyl]-4-tert-butylbenzohydrazide

C23H32N2O2 — CID 7917870

IUPACN'-[2-(1-adamantyl)acetyl]-4-tert-butylbenzohydrazide
SMILESCC(C)(C)c1ccc(C(=O)NNC(=O)CC23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C23H32N2O2/c1-22(2,3)19-6-4-18(5-7-19)21(27)25-24-20(26)14-23-11-15-8-16(12-23)10-17(9-15)13-23/h4-7,15-17H,8-14H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyJDVITEXGOXTFBI-UHFFFAOYSA-N
MW368.52 g/mol
LogP4.35
Rot. Bonds3

About N'-[2-(1-adamantyl)acetyl]-4-tert-butylbenzohydrazide

N'-[2-(1-adamantyl)acetyl]-4-tert-butylbenzohydrazide (PubChem CID 7917870) has the molecular formula C23H32N2O2 and a molecular weight of 368.52 g/mol. Its IUPAC name is N'-[2-(1-adamantyl)acetyl]-4-tert-butylbenzohydrazide.

Molecular Properties

Compound NameN'-[2-(1-adamantyl)acetyl]-4-tert-butylbenzohydrazide
PubChem CID7917870
Molecular FormulaC23H32N2O2
Molecular Weight368.52 g/mol
Exact Mass368.25
IUPAC NameN'-[2-(1-adamantyl)acetyl]-4-tert-butylbenzohydrazide
SMILESCC(C)(C)c1ccc(C(=O)NNC(=O)CC23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C23H32N2O2/c1-22(2,3)19-6-4-18(5-7-19)21(27)25-24-20(26)14-23-11-15-8-16(12-23)10-17(9-15)13-23/h4-7,15-17H,8-14H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyJDVITEXGOXTFBI-UHFFFAOYSA-N
XLogP4.35
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.52
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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
N'-[2-(1-adamantyl)acetyl]-4-(methylsulfanylmethyl)benzohydrazide
CID 7978897
4-[[[2-(1-adamantyl)acetyl]amino]carbamoyl]benzenesulfonamide
CID 24636731
N'-[2-(1-adamantyl)acetyl]-4-(difluoromethylsulfonyl)benzohydrazide
CID 26177148
2-(1-adamantyl)-N-[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl]acetamide
CID 4820820
N-[3-[[[2-(1-adamantyl)acetyl]amino]carbamoyl]phenyl]-2,2-dimethylpropanamide
CID 134027331
N'-[2-(1-adamantyl)acetyl]-3,5-dimethoxybenzohydrazide
CID 7742291
N'-[2-(1-adamantyl)acetyl]-3-bromobenzohydrazide
CID 40596742
N'-[2-(1-adamantyl)acetyl]pyridine-3-carbohydrazide
CID 26641233
N'-[2-(1-adamantyl)acetyl]-3-ethoxy-4-methoxybenzohydrazide
CID 26177229
N'-[2-(1-adamantyl)acetyl]-4-(4-methylphenyl)-4-oxobutanehydrazide
CID 26854795
N-[3-[2-[2-(1-adamantyl)acetyl]hydrazinyl]-3-oxopropyl]-4-chlorobenzamide
CID 9475167

Frequently Asked Questions

What is the IUPAC name of N'-[2-(1-adamantyl)acetyl]-4-tert-butylbenzohydrazide?
The IUPAC name of N'-[2-(1-adamantyl)acetyl]-4-tert-butylbenzohydrazide (CID 7917870) is N'-[2-(1-adamantyl)acetyl]-4-tert-butylbenzohydrazide.
What is the SMILES notation for N'-[2-(1-adamantyl)acetyl]-4-tert-butylbenzohydrazide?
The canonical SMILES for N'-[2-(1-adamantyl)acetyl]-4-tert-butylbenzohydrazide is CC(C)(C)c1ccc(C(=O)NNC(=O)CC23CC4CC(CC(C4)C2)C3)cc1.
What is the InChIKey of N'-[2-(1-adamantyl)acetyl]-4-tert-butylbenzohydrazide?
The InChIKey is JDVITEXGOXTFBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O2/c1-22(2,3)19-6-4-18(5-7-19)21(27)25-24-20(26)14-23-11-15-8-16(12-23)10-17(9-15)13-23/h4-7,15-17H,8-14H2,1-3H3,(H,24,26)(H,25,27).
What are the key properties of N'-[2-(1-adamantyl)acetyl]-4-tert-butylbenzohydrazide?
N'-[2-(1-adamantyl)acetyl]-4-tert-butylbenzohydrazide has a molecular weight of 368.52 g/mol, XLogP of 4.35, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(1-adamantyl)acetyl]-4-tert-butylbenzohydrazide is sourced from PubChem (CID 7917870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).