4-[(benzylamino)methyl]-N'-(4-propan-2-ylphenyl)benzohydrazide

C24H27N3O — CID 25072993

IUPAC4-[(benzylamino)methyl]-N'-(4-propan-2-ylphenyl)benzohydrazide
SMILESCC(C)c1ccc(NNC(=O)c2ccc(CNCc3ccccc3)cc2)cc1
InChIInChI=1S/C24H27N3O/c1-18(2)21-12-14-23(15-13-21)26-27-24(28)22-10-8-20(9-11-22)17-25-16-19-6-4-3-5-7-19/h3-15,18,25-26H,16-17H2,1-2H3,(H,27,28)
InChIKeyOHLBVYAKXIYUII-UHFFFAOYSA-N
MW373.50 g/mol
LogP4.86
Rot. Bonds8

About 4-[(benzylamino)methyl]-N'-(4-propan-2-ylphenyl)benzohydrazide

4-[(benzylamino)methyl]-N'-(4-propan-2-ylphenyl)benzohydrazide (PubChem CID 25072993) has the molecular formula C24H27N3O and a molecular weight of 373.50 g/mol. Its IUPAC name is 4-[(benzylamino)methyl]-N'-(4-propan-2-ylphenyl)benzohydrazide.

Molecular Properties

Compound Name4-[(benzylamino)methyl]-N'-(4-propan-2-ylphenyl)benzohydrazide
PubChem CID25072993
Molecular FormulaC24H27N3O
Molecular Weight373.50 g/mol
Exact Mass373.22
IUPAC Name4-[(benzylamino)methyl]-N'-(4-propan-2-ylphenyl)benzohydrazide
SMILESCC(C)c1ccc(NNC(=O)c2ccc(CNCc3ccccc3)cc2)cc1
InChIInChI=1S/C24H27N3O/c1-18(2)21-12-14-23(15-13-21)26-27-24(28)22-10-8-20(9-11-22)17-25-16-19-6-4-3-5-7-19/h3-15,18,25-26H,16-17H2,1-2H3,(H,27,28)
InChIKeyOHLBVYAKXIYUII-UHFFFAOYSA-N
XLogP4.86
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 54.86
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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Related Compounds

4-[[(4-propan-2-ylphenyl)methylamino]methyl]benzamide
CID 60658050
N-[2-[(2-phenylacetyl)amino]ethyl]-4-propan-2-ylbenzamide
CID 108571670
4-[[2-(4-propan-2-ylphenyl)ethylamino]methyl]benzoic acid
CID 122030006
1-[[4-(anilinocarbamoyl)phenyl]methyl]-3-(1-naphthalen-1-ylethyl)urea
CID 69190689
4-[(carbamoylamino)methyl]-N-(4-propan-2-ylphenyl)benzamide
CID 35018877
N-[4-[[(4-propan-2-ylbenzoyl)amino]carbamoyl]phenyl]acetamide
CID 17177513
N-[(4-methylphenyl)methyl]-4-propan-2-ylbenzamide
CID 2671711
(4-propan-2-ylphenyl)methyl N-benzylcarbamate
CID 141057085
N'-(4-propan-2-ylphenyl)pyridine-2-carbohydrazide
CID 171665742
2-(benzylamino)-N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide
CID 109255447
4-propan-2-yl-N-(4-propan-2-ylphenyl)benzamide
CID 1406437
2-(benzylamino)-1-(4-propan-2-ylphenyl)ethanol
CID 60897047

Frequently Asked Questions

What is the IUPAC name of 4-[(benzylamino)methyl]-N'-(4-propan-2-ylphenyl)benzohydrazide?
The IUPAC name of 4-[(benzylamino)methyl]-N'-(4-propan-2-ylphenyl)benzohydrazide (CID 25072993) is 4-[(benzylamino)methyl]-N'-(4-propan-2-ylphenyl)benzohydrazide.
What is the SMILES notation for 4-[(benzylamino)methyl]-N'-(4-propan-2-ylphenyl)benzohydrazide?
The canonical SMILES for 4-[(benzylamino)methyl]-N'-(4-propan-2-ylphenyl)benzohydrazide is CC(C)c1ccc(NNC(=O)c2ccc(CNCc3ccccc3)cc2)cc1.
What is the InChIKey of 4-[(benzylamino)methyl]-N'-(4-propan-2-ylphenyl)benzohydrazide?
The InChIKey is OHLBVYAKXIYUII-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O/c1-18(2)21-12-14-23(15-13-21)26-27-24(28)22-10-8-20(9-11-22)17-25-16-19-6-4-3-5-7-19/h3-15,18,25-26H,16-17H2,1-2H3,(H,27,28).
What are the key properties of 4-[(benzylamino)methyl]-N'-(4-propan-2-ylphenyl)benzohydrazide?
4-[(benzylamino)methyl]-N'-(4-propan-2-ylphenyl)benzohydrazide has a molecular weight of 373.50 g/mol, XLogP of 4.86, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(benzylamino)methyl]-N'-(4-propan-2-ylphenyl)benzohydrazide is sourced from PubChem (CID 25072993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).