N'-[2-(2,4-dimethylanilino)acetyl]-5,6,7,8-tetrahydronaphthalene-2-carbohydrazide

C21H25N3O2 — CID 9273255

IUPACN'-[2-(2,4-dimethylanilino)acetyl]-5,6,7,8-tetrahydronaphthalene-2-carbohydrazide
SMILESCc1ccc(NCC(=O)NNC(=O)c2ccc3c(c2)CCCC3)c(C)c1
InChIInChI=1S/C21H25N3O2/c1-14-7-10-19(15(2)11-14)22-13-20(25)23-24-21(26)18-9-8-16-5-3-4-6-17(16)12-18/h7-12,22H,3-6,13H2,1-2H3,(H,23,25)(H,24,26)
InChIKeySQBHICPRXBJEQY-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.06
Rot. Bonds4

About N'-[2-(2,4-dimethylanilino)acetyl]-5,6,7,8-tetrahydronaphthalene-2-carbohydrazide

N'-[2-(2,4-dimethylanilino)acetyl]-5,6,7,8-tetrahydronaphthalene-2-carbohydrazide (PubChem CID 9273255) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is N'-[2-(2,4-dimethylanilino)acetyl]-5,6,7,8-tetrahydronaphthalene-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(2,4-dimethylanilino)acetyl]-5,6,7,8-tetrahydronaphthalene-2-carbohydrazide
PubChem CID9273255
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC NameN'-[2-(2,4-dimethylanilino)acetyl]-5,6,7,8-tetrahydronaphthalene-2-carbohydrazide
SMILESCc1ccc(NCC(=O)NNC(=O)c2ccc3c(c2)CCCC3)c(C)c1
InChIInChI=1S/C21H25N3O2/c1-14-7-10-19(15(2)11-14)22-13-20(25)23-24-21(26)18-9-8-16-5-3-4-6-17(16)12-18/h7-12,22H,3-6,13H2,1-2H3,(H,23,25)(H,24,26)
InChIKeySQBHICPRXBJEQY-UHFFFAOYSA-N
XLogP3.06
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,4-dimethylanilino)acetyl]-5,6,7,8-tetrahydronaphthalene-2-carbohydrazide?
The IUPAC name of N'-[2-(2,4-dimethylanilino)acetyl]-5,6,7,8-tetrahydronaphthalene-2-carbohydrazide (CID 9273255) is N'-[2-(2,4-dimethylanilino)acetyl]-5,6,7,8-tetrahydronaphthalene-2-carbohydrazide.
What is the SMILES notation for N'-[2-(2,4-dimethylanilino)acetyl]-5,6,7,8-tetrahydronaphthalene-2-carbohydrazide?
The canonical SMILES for N'-[2-(2,4-dimethylanilino)acetyl]-5,6,7,8-tetrahydronaphthalene-2-carbohydrazide is Cc1ccc(NCC(=O)NNC(=O)c2ccc3c(c2)CCCC3)c(C)c1.
What is the InChIKey of N'-[2-(2,4-dimethylanilino)acetyl]-5,6,7,8-tetrahydronaphthalene-2-carbohydrazide?
The InChIKey is SQBHICPRXBJEQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-14-7-10-19(15(2)11-14)22-13-20(25)23-24-21(26)18-9-8-16-5-3-4-6-17(16)12-18/h7-12,22H,3-6,13H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of N'-[2-(2,4-dimethylanilino)acetyl]-5,6,7,8-tetrahydronaphthalene-2-carbohydrazide?
N'-[2-(2,4-dimethylanilino)acetyl]-5,6,7,8-tetrahydronaphthalene-2-carbohydrazide has a molecular weight of 351.45 g/mol, XLogP of 3.06, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,4-dimethylanilino)acetyl]-5,6,7,8-tetrahydronaphthalene-2-carbohydrazide is sourced from PubChem (CID 9273255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).