3-(5-formyl-6-hydroxynaphthalen-2-yl)-N-propan-2-ylbenzamide

C21H19NO3 — CID 59599904

IUPAC3-(5-formyl-6-hydroxynaphthalen-2-yl)-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1cccc(-c2ccc3c(C=O)c(O)ccc3c2)c1
InChIInChI=1S/C21H19NO3/c1-13(2)22-21(25)17-5-3-4-14(11-17)15-6-8-18-16(10-15)7-9-20(24)19(18)12-23/h3-13,24H,1-2H3,(H,22,25)
InChIKeyLCESLTUVSXEGCC-UHFFFAOYSA-N
MW333.39 g/mol
LogP4.16
Rot. Bonds4

About 3-(5-formyl-6-hydroxynaphthalen-2-yl)-N-propan-2-ylbenzamide

3-(5-formyl-6-hydroxynaphthalen-2-yl)-N-propan-2-ylbenzamide (PubChem CID 59599904) has the molecular formula C21H19NO3 and a molecular weight of 333.39 g/mol. Its IUPAC name is 3-(5-formyl-6-hydroxynaphthalen-2-yl)-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name3-(5-formyl-6-hydroxynaphthalen-2-yl)-N-propan-2-ylbenzamide
PubChem CID59599904
Molecular FormulaC21H19NO3
Molecular Weight333.39 g/mol
Exact Mass333.14
IUPAC Name3-(5-formyl-6-hydroxynaphthalen-2-yl)-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1cccc(-c2ccc3c(C=O)c(O)ccc3c2)c1
InChIInChI=1S/C21H19NO3/c1-13(2)22-21(25)17-5-3-4-14(11-17)15-6-8-18-16(10-15)7-9-20(24)19(18)12-23/h3-13,24H,1-2H3,(H,22,25)
InChIKeyLCESLTUVSXEGCC-UHFFFAOYSA-N
XLogP4.16
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 54.16
H-Bond Donors ≤ 52
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 3-(5-formyl-6-hydroxynaphthalen-2-yl)-N-propan-2-ylbenzamide?
The IUPAC name of 3-(5-formyl-6-hydroxynaphthalen-2-yl)-N-propan-2-ylbenzamide (CID 59599904) is 3-(5-formyl-6-hydroxynaphthalen-2-yl)-N-propan-2-ylbenzamide.
What is the SMILES notation for 3-(5-formyl-6-hydroxynaphthalen-2-yl)-N-propan-2-ylbenzamide?
The canonical SMILES for 3-(5-formyl-6-hydroxynaphthalen-2-yl)-N-propan-2-ylbenzamide is CC(C)NC(=O)c1cccc(-c2ccc3c(C=O)c(O)ccc3c2)c1.
What is the InChIKey of 3-(5-formyl-6-hydroxynaphthalen-2-yl)-N-propan-2-ylbenzamide?
The InChIKey is LCESLTUVSXEGCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO3/c1-13(2)22-21(25)17-5-3-4-14(11-17)15-6-8-18-16(10-15)7-9-20(24)19(18)12-23/h3-13,24H,1-2H3,(H,22,25).
What are the key properties of 3-(5-formyl-6-hydroxynaphthalen-2-yl)-N-propan-2-ylbenzamide?
3-(5-formyl-6-hydroxynaphthalen-2-yl)-N-propan-2-ylbenzamide has a molecular weight of 333.39 g/mol, XLogP of 4.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-formyl-6-hydroxynaphthalen-2-yl)-N-propan-2-ylbenzamide is sourced from PubChem (CID 59599904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).