N'-[2-(1-adamantyl)acetyl]-3-ethoxy-4-methoxybenzohydrazide

C22H30N2O4 — CID 26177229

IUPACN'-[2-(1-adamantyl)acetyl]-3-ethoxy-4-methoxybenzohydrazide
SMILESCCOc1cc(C(=O)NNC(=O)CC23CC4CC(CC(C4)C2)C3)ccc1OC
InChIInChI=1S/C22H30N2O4/c1-3-28-19-9-17(4-5-18(19)27-2)21(26)24-23-20(25)13-22-10-14-6-15(11-22)8-16(7-14)12-22/h4-5,9,14-16H,3,6-8,10-13H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyBTOFHNAKKMQKRU-UHFFFAOYSA-N
MW386.49 g/mol
LogP3.46
Rot. Bonds6

About N'-[2-(1-adamantyl)acetyl]-3-ethoxy-4-methoxybenzohydrazide

N'-[2-(1-adamantyl)acetyl]-3-ethoxy-4-methoxybenzohydrazide (PubChem CID 26177229) has the molecular formula C22H30N2O4 and a molecular weight of 386.49 g/mol. Its IUPAC name is N'-[2-(1-adamantyl)acetyl]-3-ethoxy-4-methoxybenzohydrazide.

Molecular Properties

Compound NameN'-[2-(1-adamantyl)acetyl]-3-ethoxy-4-methoxybenzohydrazide
PubChem CID26177229
Molecular FormulaC22H30N2O4
Molecular Weight386.49 g/mol
Exact Mass386.22
IUPAC NameN'-[2-(1-adamantyl)acetyl]-3-ethoxy-4-methoxybenzohydrazide
SMILESCCOc1cc(C(=O)NNC(=O)CC23CC4CC(CC(C4)C2)C3)ccc1OC
InChIInChI=1S/C22H30N2O4/c1-3-28-19-9-17(4-5-18(19)27-2)21(26)24-23-20(25)13-22-10-14-6-15(11-22)8-16(7-14)12-22/h4-5,9,14-16H,3,6-8,10-13H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyBTOFHNAKKMQKRU-UHFFFAOYSA-N
XLogP3.46
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.49
LogP ≤ 53.46
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

2-[4-[[[2-(1-adamantyl)acetyl]amino]carbamoyl]-2-methoxyphenoxy]acetamide
CID 9086076
N'-[2-(1-adamantyl)acetyl]-3,5-dimethoxybenzohydrazide
CID 7742291
2-(1-adamantyl)-N'-[2-(2-ethoxyphenoxy)acetyl]acetohydrazide
CID 7917948
N-[3-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-3-oxopropyl]adamantane-1-carboxamide
CID 30870609
[2-(1-adamantylmethylamino)-2-oxoethyl] 3-ethoxy-4-methoxybenzoate
CID 7903408
N'-[2-(1-adamantyl)acetyl]-4-tert-butylbenzohydrazide
CID 7917870
3,4,5-triethoxy-N'-(3-ethoxy-4-methoxybenzoyl)benzohydrazide
CID 24537475
N-[2-[2-[2-(1-adamantyl)acetyl]hydrazinyl]-2-oxoethyl]-3,4,5-trimethoxybenzamide
CID 27562092
N'-[2-(1-adamantyl)acetyl]-3-bromobenzohydrazide
CID 40596742
2-(1-adamantyl)-N'-[2-(4-ethoxyphenoxy)acetyl]acetohydrazide
CID 9475144
N'-[2-(1-adamantyl)acetyl]-4-fluorobenzohydrazide
CID 7742285
N'-[2-(1-adamantyl)acetyl]-2-(3-fluoro-4-methoxyphenyl)acetohydrazide
CID 9326362

Frequently Asked Questions

What is the IUPAC name of N'-[2-(1-adamantyl)acetyl]-3-ethoxy-4-methoxybenzohydrazide?
The IUPAC name of N'-[2-(1-adamantyl)acetyl]-3-ethoxy-4-methoxybenzohydrazide (CID 26177229) is N'-[2-(1-adamantyl)acetyl]-3-ethoxy-4-methoxybenzohydrazide.
What is the SMILES notation for N'-[2-(1-adamantyl)acetyl]-3-ethoxy-4-methoxybenzohydrazide?
The canonical SMILES for N'-[2-(1-adamantyl)acetyl]-3-ethoxy-4-methoxybenzohydrazide is CCOc1cc(C(=O)NNC(=O)CC23CC4CC(CC(C4)C2)C3)ccc1OC.
What is the InChIKey of N'-[2-(1-adamantyl)acetyl]-3-ethoxy-4-methoxybenzohydrazide?
The InChIKey is BTOFHNAKKMQKRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O4/c1-3-28-19-9-17(4-5-18(19)27-2)21(26)24-23-20(25)13-22-10-14-6-15(11-22)8-16(7-14)12-22/h4-5,9,14-16H,3,6-8,10-13H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of N'-[2-(1-adamantyl)acetyl]-3-ethoxy-4-methoxybenzohydrazide?
N'-[2-(1-adamantyl)acetyl]-3-ethoxy-4-methoxybenzohydrazide has a molecular weight of 386.49 g/mol, XLogP of 3.46, 6 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-ethoxy-4-methoxybenzohydrazide is sourced from PubChem (CID 26177229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).