N-[2-(benzylamino)-2-oxoethyl]-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-2,4-dimethylbenzamide

C26H27N3O4 — CID 164621010

IUPACN-[2-(benzylamino)-2-oxoethyl]-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-2,4-dimethylbenzamide
SMILESCc1ccc(C(=O)N(CC(=O)NCc2ccccc2)Cc2ccc(C(=O)NO)cc2)c(C)c1
InChIInChI=1S/C26H27N3O4/c1-18-8-13-23(19(2)14-18)26(32)29(16-21-9-11-22(12-10-21)25(31)28-33)17-24(30)27-15-20-6-4-3-5-7-20/h3-14,33H,15-17H2,1-2H3,(H,27,30)(H,28,31)
InChIKeyROBDTWJJKNBLJP-UHFFFAOYSA-N
MW445.52 g/mol
LogP3.38
Rot. Bonds8

About N-[2-(benzylamino)-2-oxoethyl]-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-2,4-dimethylbenzamide

N-[2-(benzylamino)-2-oxoethyl]-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-2,4-dimethylbenzamide (PubChem CID 164621010) has the molecular formula C26H27N3O4 and a molecular weight of 445.52 g/mol. Its IUPAC name is N-[2-(benzylamino)-2-oxoethyl]-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-2,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[2-(benzylamino)-2-oxoethyl]-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-2,4-dimethylbenzamide
PubChem CID164621010
Molecular FormulaC26H27N3O4
Molecular Weight445.52 g/mol
Exact Mass445.20
IUPAC NameN-[2-(benzylamino)-2-oxoethyl]-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-2,4-dimethylbenzamide
SMILESCc1ccc(C(=O)N(CC(=O)NCc2ccccc2)Cc2ccc(C(=O)NO)cc2)c(C)c1
InChIInChI=1S/C26H27N3O4/c1-18-8-13-23(19(2)14-18)26(32)29(16-21-9-11-22(12-10-21)25(31)28-33)17-24(30)27-15-20-6-4-3-5-7-20/h3-14,33H,15-17H2,1-2H3,(H,27,30)(H,28,31)
InChIKeyROBDTWJJKNBLJP-UHFFFAOYSA-N
XLogP3.38
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(benzylamino)-2-oxoethyl]-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-2,4-dimethylbenzamide?
The IUPAC name of N-[2-(benzylamino)-2-oxoethyl]-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-2,4-dimethylbenzamide (CID 164621010) is N-[2-(benzylamino)-2-oxoethyl]-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-2,4-dimethylbenzamide.
What is the SMILES notation for N-[2-(benzylamino)-2-oxoethyl]-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-2,4-dimethylbenzamide?
The canonical SMILES for N-[2-(benzylamino)-2-oxoethyl]-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-2,4-dimethylbenzamide is Cc1ccc(C(=O)N(CC(=O)NCc2ccccc2)Cc2ccc(C(=O)NO)cc2)c(C)c1.
What is the InChIKey of N-[2-(benzylamino)-2-oxoethyl]-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-2,4-dimethylbenzamide?
The InChIKey is ROBDTWJJKNBLJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O4/c1-18-8-13-23(19(2)14-18)26(32)29(16-21-9-11-22(12-10-21)25(31)28-33)17-24(30)27-15-20-6-4-3-5-7-20/h3-14,33H,15-17H2,1-2H3,(H,27,30)(H,28,31).
What are the key properties of N-[2-(benzylamino)-2-oxoethyl]-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-2,4-dimethylbenzamide?
N-[2-(benzylamino)-2-oxoethyl]-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-2,4-dimethylbenzamide has a molecular weight of 445.52 g/mol, XLogP of 3.38, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzylamino)-2-oxoethyl]-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-2,4-dimethylbenzamide is sourced from PubChem (CID 164621010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).