N,N-diethyl-4-(5-formyl-6-hydroxynaphthalen-2-yl)benzamide

C22H21NO3 — CID 88947005

IUPACN,N-diethyl-4-(5-formyl-6-hydroxynaphthalen-2-yl)benzamide
SMILESCCN(CC)C(=O)c1ccc(-c2ccc3c(C=O)c(O)ccc3c2)cc1
InChIInChI=1S/C22H21NO3/c1-3-23(4-2)22(26)16-7-5-15(6-8-16)17-9-11-19-18(13-17)10-12-21(25)20(19)14-24/h5-14,25H,3-4H2,1-2H3
InChIKeyWPKQEYYXJIDYHF-UHFFFAOYSA-N
MW347.41 g/mol
LogP4.51
Rot. Bonds5

About N,N-diethyl-4-(5-formyl-6-hydroxynaphthalen-2-yl)benzamide

N,N-diethyl-4-(5-formyl-6-hydroxynaphthalen-2-yl)benzamide (PubChem CID 88947005) has the molecular formula C22H21NO3 and a molecular weight of 347.41 g/mol. Its IUPAC name is N,N-diethyl-4-(5-formyl-6-hydroxynaphthalen-2-yl)benzamide.

Molecular Properties

Compound NameN,N-diethyl-4-(5-formyl-6-hydroxynaphthalen-2-yl)benzamide
PubChem CID88947005
Molecular FormulaC22H21NO3
Molecular Weight347.41 g/mol
Exact Mass347.15
IUPAC NameN,N-diethyl-4-(5-formyl-6-hydroxynaphthalen-2-yl)benzamide
SMILESCCN(CC)C(=O)c1ccc(-c2ccc3c(C=O)c(O)ccc3c2)cc1
InChIInChI=1S/C22H21NO3/c1-3-23(4-2)22(26)16-7-5-15(6-8-16)17-9-11-19-18(13-17)10-12-21(25)20(19)14-24/h5-14,25H,3-4H2,1-2H3
InChIKeyWPKQEYYXJIDYHF-UHFFFAOYSA-N
XLogP4.51
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 54.51
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,N-diethyl-4-(5-formyl-6-hydroxynaphthalen-2-yl)benzamide?
The IUPAC name of N,N-diethyl-4-(5-formyl-6-hydroxynaphthalen-2-yl)benzamide (CID 88947005) is N,N-diethyl-4-(5-formyl-6-hydroxynaphthalen-2-yl)benzamide.
What is the SMILES notation for N,N-diethyl-4-(5-formyl-6-hydroxynaphthalen-2-yl)benzamide?
The canonical SMILES for N,N-diethyl-4-(5-formyl-6-hydroxynaphthalen-2-yl)benzamide is CCN(CC)C(=O)c1ccc(-c2ccc3c(C=O)c(O)ccc3c2)cc1.
What is the InChIKey of N,N-diethyl-4-(5-formyl-6-hydroxynaphthalen-2-yl)benzamide?
The InChIKey is WPKQEYYXJIDYHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO3/c1-3-23(4-2)22(26)16-7-5-15(6-8-16)17-9-11-19-18(13-17)10-12-21(25)20(19)14-24/h5-14,25H,3-4H2,1-2H3.
What are the key properties of N,N-diethyl-4-(5-formyl-6-hydroxynaphthalen-2-yl)benzamide?
N,N-diethyl-4-(5-formyl-6-hydroxynaphthalen-2-yl)benzamide has a molecular weight of 347.41 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-(5-formyl-6-hydroxynaphthalen-2-yl)benzamide is sourced from PubChem (CID 88947005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).