N'-[4-(diethylaminomethyl)benzoyl]-2,4-dimethylbenzohydrazide

C21H27N3O2 — CID 43069979

IUPACN'-[4-(diethylaminomethyl)benzoyl]-2,4-dimethylbenzohydrazide
SMILESCCN(CC)Cc1ccc(C(=O)NNC(=O)c2ccc(C)cc2C)cc1
InChIInChI=1S/C21H27N3O2/c1-5-24(6-2)14-17-8-10-18(11-9-17)20(25)22-23-21(26)19-12-7-15(3)13-16(19)4/h7-13H,5-6,14H2,1-4H3,(H,22,25)(H,23,26)
InChIKeyFFCSMRNLRGHKOI-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.22
Rot. Bonds6

About N'-[4-(diethylaminomethyl)benzoyl]-2,4-dimethylbenzohydrazide

N'-[4-(diethylaminomethyl)benzoyl]-2,4-dimethylbenzohydrazide (PubChem CID 43069979) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is N'-[4-(diethylaminomethyl)benzoyl]-2,4-dimethylbenzohydrazide.

Molecular Properties

Compound NameN'-[4-(diethylaminomethyl)benzoyl]-2,4-dimethylbenzohydrazide
PubChem CID43069979
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC NameN'-[4-(diethylaminomethyl)benzoyl]-2,4-dimethylbenzohydrazide
SMILESCCN(CC)Cc1ccc(C(=O)NNC(=O)c2ccc(C)cc2C)cc1
InChIInChI=1S/C21H27N3O2/c1-5-24(6-2)14-17-8-10-18(11-9-17)20(25)22-23-21(26)19-12-7-15(3)13-16(19)4/h7-13H,5-6,14H2,1-4H3,(H,22,25)(H,23,26)
InChIKeyFFCSMRNLRGHKOI-UHFFFAOYSA-N
XLogP3.22
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.22
H-Bond Donors ≤ 52
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'-[4-(diethylaminomethyl)benzoyl]-2,4-dimethylbenzohydrazide?
The IUPAC name of N'-[4-(diethylaminomethyl)benzoyl]-2,4-dimethylbenzohydrazide (CID 43069979) is N'-[4-(diethylaminomethyl)benzoyl]-2,4-dimethylbenzohydrazide.
What is the SMILES notation for N'-[4-(diethylaminomethyl)benzoyl]-2,4-dimethylbenzohydrazide?
The canonical SMILES for N'-[4-(diethylaminomethyl)benzoyl]-2,4-dimethylbenzohydrazide is CCN(CC)Cc1ccc(C(=O)NNC(=O)c2ccc(C)cc2C)cc1.
What is the InChIKey of N'-[4-(diethylaminomethyl)benzoyl]-2,4-dimethylbenzohydrazide?
The InChIKey is FFCSMRNLRGHKOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-5-24(6-2)14-17-8-10-18(11-9-17)20(25)22-23-21(26)19-12-7-15(3)13-16(19)4/h7-13H,5-6,14H2,1-4H3,(H,22,25)(H,23,26).
What are the key properties of N'-[4-(diethylaminomethyl)benzoyl]-2,4-dimethylbenzohydrazide?
N'-[4-(diethylaminomethyl)benzoyl]-2,4-dimethylbenzohydrazide has a molecular weight of 353.47 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(diethylaminomethyl)benzoyl]-2,4-dimethylbenzohydrazide is sourced from PubChem (CID 43069979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).