N-benzyl-3-(5-formyl-6-hydroxynaphthalen-2-yl)-N-methylbenzamide

C26H21NO3 — CID 59599818

IUPACN-benzyl-3-(5-formyl-6-hydroxynaphthalen-2-yl)-N-methylbenzamide
SMILESCN(Cc1ccccc1)C(=O)c1cccc(-c2ccc3c(C=O)c(O)ccc3c2)c1
InChIInChI=1S/C26H21NO3/c1-27(16-18-6-3-2-4-7-18)26(30)22-9-5-8-19(15-22)20-10-12-23-21(14-20)11-13-25(29)24(23)17-28/h2-15,17,29H,16H2,1H3
InChIKeyKGOPBVMBCVRBSL-UHFFFAOYSA-N
MW395.46 g/mol
LogP5.30
Rot. Bonds5

About N-benzyl-3-(5-formyl-6-hydroxynaphthalen-2-yl)-N-methylbenzamide

N-benzyl-3-(5-formyl-6-hydroxynaphthalen-2-yl)-N-methylbenzamide (PubChem CID 59599818) has the molecular formula C26H21NO3 and a molecular weight of 395.46 g/mol. Its IUPAC name is N-benzyl-3-(5-formyl-6-hydroxynaphthalen-2-yl)-N-methylbenzamide.

Molecular Properties

Compound NameN-benzyl-3-(5-formyl-6-hydroxynaphthalen-2-yl)-N-methylbenzamide
PubChem CID59599818
Molecular FormulaC26H21NO3
Molecular Weight395.46 g/mol
Exact Mass395.15
IUPAC NameN-benzyl-3-(5-formyl-6-hydroxynaphthalen-2-yl)-N-methylbenzamide
SMILESCN(Cc1ccccc1)C(=O)c1cccc(-c2ccc3c(C=O)c(O)ccc3c2)c1
InChIInChI=1S/C26H21NO3/c1-27(16-18-6-3-2-4-7-18)26(30)22-9-5-8-19(15-22)20-10-12-23-21(14-20)11-13-25(29)24(23)17-28/h2-15,17,29H,16H2,1H3
InChIKeyKGOPBVMBCVRBSL-UHFFFAOYSA-N
XLogP5.30
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.46
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(5-formyl-6-hydroxynaphthalen-2-yl)-N-methylbenzamide?
The IUPAC name of N-benzyl-3-(5-formyl-6-hydroxynaphthalen-2-yl)-N-methylbenzamide (CID 59599818) is N-benzyl-3-(5-formyl-6-hydroxynaphthalen-2-yl)-N-methylbenzamide.
What is the SMILES notation for N-benzyl-3-(5-formyl-6-hydroxynaphthalen-2-yl)-N-methylbenzamide?
The canonical SMILES for N-benzyl-3-(5-formyl-6-hydroxynaphthalen-2-yl)-N-methylbenzamide is CN(Cc1ccccc1)C(=O)c1cccc(-c2ccc3c(C=O)c(O)ccc3c2)c1.
What is the InChIKey of N-benzyl-3-(5-formyl-6-hydroxynaphthalen-2-yl)-N-methylbenzamide?
The InChIKey is KGOPBVMBCVRBSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21NO3/c1-27(16-18-6-3-2-4-7-18)26(30)22-9-5-8-19(15-22)20-10-12-23-21(14-20)11-13-25(29)24(23)17-28/h2-15,17,29H,16H2,1H3.
What are the key properties of N-benzyl-3-(5-formyl-6-hydroxynaphthalen-2-yl)-N-methylbenzamide?
N-benzyl-3-(5-formyl-6-hydroxynaphthalen-2-yl)-N-methylbenzamide has a molecular weight of 395.46 g/mol, XLogP of 5.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(5-formyl-6-hydroxynaphthalen-2-yl)-N-methylbenzamide is sourced from PubChem (CID 59599818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).