2-[formyl-[[4-(hydroxycarbamoyl)phenyl]methyl]amino]-N-methyl-N-(2-phenylethyl)benzamide

C25H25N3O4 — CID 166970617

IUPAC2-[formyl-[[4-(hydroxycarbamoyl)phenyl]methyl]amino]-N-methyl-N-(2-phenylethyl)benzamide
SMILESCN(CCc1ccccc1)C(=O)c1ccccc1N(C=O)Cc1ccc(C(=O)NO)cc1
InChIInChI=1S/C25H25N3O4/c1-27(16-15-19-7-3-2-4-8-19)25(31)22-9-5-6-10-23(22)28(18-29)17-20-11-13-21(14-12-20)24(30)26-32/h2-14,18,32H,15-17H2,1H3,(H,26,30)
InChIKeyGQRPTOCFOKEEIL-UHFFFAOYSA-N
MW431.49 g/mol
LogP3.28
Rot. Bonds9

About 2-[formyl-[[4-(hydroxycarbamoyl)phenyl]methyl]amino]-N-methyl-N-(2-phenylethyl)benzamide

2-[formyl-[[4-(hydroxycarbamoyl)phenyl]methyl]amino]-N-methyl-N-(2-phenylethyl)benzamide (PubChem CID 166970617) has the molecular formula C25H25N3O4 and a molecular weight of 431.49 g/mol. Its IUPAC name is 2-[formyl-[[4-(hydroxycarbamoyl)phenyl]methyl]amino]-N-methyl-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound Name2-[formyl-[[4-(hydroxycarbamoyl)phenyl]methyl]amino]-N-methyl-N-(2-phenylethyl)benzamide
PubChem CID166970617
Molecular FormulaC25H25N3O4
Molecular Weight431.49 g/mol
Exact Mass431.18
IUPAC Name2-[formyl-[[4-(hydroxycarbamoyl)phenyl]methyl]amino]-N-methyl-N-(2-phenylethyl)benzamide
SMILESCN(CCc1ccccc1)C(=O)c1ccccc1N(C=O)Cc1ccc(C(=O)NO)cc1
InChIInChI=1S/C25H25N3O4/c1-27(16-15-19-7-3-2-4-8-19)25(31)22-9-5-6-10-23(22)28(18-29)17-20-11-13-21(14-12-20)24(30)26-32/h2-14,18,32H,15-17H2,1H3,(H,26,30)
InChIKeyGQRPTOCFOKEEIL-UHFFFAOYSA-N
XLogP3.28
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.49
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[[[2-[[4-(dimethylamino)phenyl]methyl-formylamino]benzoyl]-methylamino]methyl]benzoic acid
CID 130372742
2-bromo-N-methyl-N-(2-phenylethyl)benzamide
CID 60739770
2-(ethylamino)-N-methyl-N-(2-phenylethyl)benzamide
CID 63108183
N-hydroxy-4-[[(2-phenylacetyl)-(2-phenylethyl)amino]methyl]benzamide
CID 147494656
ethane;N-methyl-N-(2-phenylethyl)benzamide
CID 143447769
N,2,5-trimethyl-N-(2-phenylethyl)benzamide
CID 175917988
4-[3-[benzyl(methyl)amino]-2-methylprop-1-enyl]-N-hydroxybenzamide
CID 73033238
4-N-butyl-4-N-methyl-1-N-(2-phenylethyl)benzene-1,4-dicarboxamide
CID 109047835
N-[2-benzamido-2-[2-[formyl(2-phenylethyl)amino]phenyl]propyl]benzamide
CID 171636472
3-bromo-N,5-dimethyl-N-(2-phenylethyl)benzamide
CID 104852356
N,1-dimethyl-6-oxo-N-(2-phenylethyl)pyridine-3-carboxamide
CID 75461380
4-[(N-buta-1,3-dienylanilino)methyl]-N-hydroxybenzamide
CID 123743489

Frequently Asked Questions

What is the IUPAC name of 2-[formyl-[[4-(hydroxycarbamoyl)phenyl]methyl]amino]-N-methyl-N-(2-phenylethyl)benzamide?
The IUPAC name of 2-[formyl-[[4-(hydroxycarbamoyl)phenyl]methyl]amino]-N-methyl-N-(2-phenylethyl)benzamide (CID 166970617) is 2-[formyl-[[4-(hydroxycarbamoyl)phenyl]methyl]amino]-N-methyl-N-(2-phenylethyl)benzamide.
What is the SMILES notation for 2-[formyl-[[4-(hydroxycarbamoyl)phenyl]methyl]amino]-N-methyl-N-(2-phenylethyl)benzamide?
The canonical SMILES for 2-[formyl-[[4-(hydroxycarbamoyl)phenyl]methyl]amino]-N-methyl-N-(2-phenylethyl)benzamide is CN(CCc1ccccc1)C(=O)c1ccccc1N(C=O)Cc1ccc(C(=O)NO)cc1.
What is the InChIKey of 2-[formyl-[[4-(hydroxycarbamoyl)phenyl]methyl]amino]-N-methyl-N-(2-phenylethyl)benzamide?
The InChIKey is GQRPTOCFOKEEIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O4/c1-27(16-15-19-7-3-2-4-8-19)25(31)22-9-5-6-10-23(22)28(18-29)17-20-11-13-21(14-12-20)24(30)26-32/h2-14,18,32H,15-17H2,1H3,(H,26,30).
What are the key properties of 2-[formyl-[[4-(hydroxycarbamoyl)phenyl]methyl]amino]-N-methyl-N-(2-phenylethyl)benzamide?
2-[formyl-[[4-(hydroxycarbamoyl)phenyl]methyl]amino]-N-methyl-N-(2-phenylethyl)benzamide has a molecular weight of 431.49 g/mol, XLogP of 3.28, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[formyl-[[4-(hydroxycarbamoyl)phenyl]methyl]amino]-N-methyl-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 166970617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).