N'-[2-(2-methylphenoxy)acetyl]-1,2,3,4-tetrahydroacridine-9-carbohydrazide

C23H23N3O3 — CID 9247846

IUPACN'-[2-(2-methylphenoxy)acetyl]-1,2,3,4-tetrahydroacridine-9-carbohydrazide
SMILESCc1ccccc1OCC(=O)NNC(=O)c1c2c(nc3ccccc13)CCCC2
InChIInChI=1S/C23H23N3O3/c1-15-8-2-7-13-20(15)29-14-21(27)25-26-23(28)22-16-9-3-5-11-18(16)24-19-12-6-4-10-17(19)22/h2-3,5,7-9,11,13H,4,6,10,12,14H2,1H3,(H,25,27)(H,26,28)
InChIKeyVHQSXAUQRYSVDW-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.26
Rot. Bonds4

About N'-[2-(2-methylphenoxy)acetyl]-1,2,3,4-tetrahydroacridine-9-carbohydrazide

N'-[2-(2-methylphenoxy)acetyl]-1,2,3,4-tetrahydroacridine-9-carbohydrazide (PubChem CID 9247846) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is N'-[2-(2-methylphenoxy)acetyl]-1,2,3,4-tetrahydroacridine-9-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(2-methylphenoxy)acetyl]-1,2,3,4-tetrahydroacridine-9-carbohydrazide
PubChem CID9247846
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC NameN'-[2-(2-methylphenoxy)acetyl]-1,2,3,4-tetrahydroacridine-9-carbohydrazide
SMILESCc1ccccc1OCC(=O)NNC(=O)c1c2c(nc3ccccc13)CCCC2
InChIInChI=1S/C23H23N3O3/c1-15-8-2-7-13-20(15)29-14-21(27)25-26-23(28)22-16-9-3-5-11-18(16)24-19-12-6-4-10-17(19)22/h2-3,5,7-9,11,13H,4,6,10,12,14H2,1H3,(H,25,27)(H,26,28)
InChIKeyVHQSXAUQRYSVDW-UHFFFAOYSA-N
XLogP3.26
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.26
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'-(4-methylbenzoyl)-1,2,3,4-tetrahydroacridine-9-carbohydrazide
CID 9247855
2-(2-methylphenoxy)acetic acid;1,2,3,4-tetrahydroacridin-9-amine
CID 51072137
N'-phenyl-1,2,3,4-tetrahydroacridine-9-carbohydrazide
CID 21203873
2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbohydrazide
CID 14385689
N'-[2-(2-methylphenoxy)acetyl]-2-phenylquinoline-4-carbohydrazide
CID 2309994
N-cycloheptyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxamide
CID 2451567
[2-(2-methylanilino)-2-oxoethyl] 6,7,8,9,10,11-hexahydrocycloocta[b]quinoline-12-carboxylate
CID 23829628
N-phenyl-1,2,3,4-tetrahydroacridine-9-carboxamide
CID 775717
[2-(2-ethoxyanilino)-2-oxoethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate
CID 2335274
N-(4-hydroxyphenyl)-1,2,3,4-tetrahydroacridine-9-carboxamide
CID 3678676
[2-oxo-2-(propan-2-ylamino)ethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate
CID 2626930
[2-(cyclohexylamino)-2-oxoethyl] 6,7,8,9,10,11-hexahydrocycloocta[b]quinoline-12-carboxylate
CID 23771577

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-methylphenoxy)acetyl]-1,2,3,4-tetrahydroacridine-9-carbohydrazide?
The IUPAC name of N'-[2-(2-methylphenoxy)acetyl]-1,2,3,4-tetrahydroacridine-9-carbohydrazide (CID 9247846) is N'-[2-(2-methylphenoxy)acetyl]-1,2,3,4-tetrahydroacridine-9-carbohydrazide.
What is the SMILES notation for N'-[2-(2-methylphenoxy)acetyl]-1,2,3,4-tetrahydroacridine-9-carbohydrazide?
The canonical SMILES for N'-[2-(2-methylphenoxy)acetyl]-1,2,3,4-tetrahydroacridine-9-carbohydrazide is Cc1ccccc1OCC(=O)NNC(=O)c1c2c(nc3ccccc13)CCCC2.
What is the InChIKey of N'-[2-(2-methylphenoxy)acetyl]-1,2,3,4-tetrahydroacridine-9-carbohydrazide?
The InChIKey is VHQSXAUQRYSVDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-15-8-2-7-13-20(15)29-14-21(27)25-26-23(28)22-16-9-3-5-11-18(16)24-19-12-6-4-10-17(19)22/h2-3,5,7-9,11,13H,4,6,10,12,14H2,1H3,(H,25,27)(H,26,28).
What are the key properties of N'-[2-(2-methylphenoxy)acetyl]-1,2,3,4-tetrahydroacridine-9-carbohydrazide?
N'-[2-(2-methylphenoxy)acetyl]-1,2,3,4-tetrahydroacridine-9-carbohydrazide has a molecular weight of 389.46 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-methylphenoxy)acetyl]-1,2,3,4-tetrahydroacridine-9-carbohydrazide is sourced from PubChem (CID 9247846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).