N,N-diethyl-4-[hydroxy(naphthalen-1-yl)methyl]benzamide

C22H23NO2 — CID 10854110

IUPACN,N-diethyl-4-[hydroxy(naphthalen-1-yl)methyl]benzamide
SMILESCCN(CC)C(=O)c1ccc(C(O)c2cccc3ccccc23)cc1
InChIInChI=1S/C22H23NO2/c1-3-23(4-2)22(25)18-14-12-17(13-15-18)21(24)20-11-7-9-16-8-5-6-10-19(16)20/h5-15,21,24H,3-4H2,1-2H3
InChIKeyFAKMRHMLDKFICH-UHFFFAOYSA-N
MW333.43 g/mol
LogP4.40
Rot. Bonds5

About N,N-diethyl-4-[hydroxy(naphthalen-1-yl)methyl]benzamide

N,N-diethyl-4-[hydroxy(naphthalen-1-yl)methyl]benzamide (PubChem CID 10854110) has the molecular formula C22H23NO2 and a molecular weight of 333.43 g/mol. Its IUPAC name is N,N-diethyl-4-[hydroxy(naphthalen-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN,N-diethyl-4-[hydroxy(naphthalen-1-yl)methyl]benzamide
PubChem CID10854110
Molecular FormulaC22H23NO2
Molecular Weight333.43 g/mol
Exact Mass333.17
IUPAC NameN,N-diethyl-4-[hydroxy(naphthalen-1-yl)methyl]benzamide
SMILESCCN(CC)C(=O)c1ccc(C(O)c2cccc3ccccc23)cc1
InChIInChI=1S/C22H23NO2/c1-3-23(4-2)22(25)18-14-12-17(13-15-18)21(24)20-11-7-9-16-8-5-6-10-19(16)20/h5-15,21,24H,3-4H2,1-2H3
InChIKeyFAKMRHMLDKFICH-UHFFFAOYSA-N
XLogP4.40
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[hydroxy(naphthalen-1-yl)methyl]benzamide?
The IUPAC name of N,N-diethyl-4-[hydroxy(naphthalen-1-yl)methyl]benzamide (CID 10854110) is N,N-diethyl-4-[hydroxy(naphthalen-1-yl)methyl]benzamide.
What is the SMILES notation for N,N-diethyl-4-[hydroxy(naphthalen-1-yl)methyl]benzamide?
The canonical SMILES for N,N-diethyl-4-[hydroxy(naphthalen-1-yl)methyl]benzamide is CCN(CC)C(=O)c1ccc(C(O)c2cccc3ccccc23)cc1.
What is the InChIKey of N,N-diethyl-4-[hydroxy(naphthalen-1-yl)methyl]benzamide?
The InChIKey is FAKMRHMLDKFICH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO2/c1-3-23(4-2)22(25)18-14-12-17(13-15-18)21(24)20-11-7-9-16-8-5-6-10-19(16)20/h5-15,21,24H,3-4H2,1-2H3.
What are the key properties of N,N-diethyl-4-[hydroxy(naphthalen-1-yl)methyl]benzamide?
N,N-diethyl-4-[hydroxy(naphthalen-1-yl)methyl]benzamide has a molecular weight of 333.43 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[hydroxy(naphthalen-1-yl)methyl]benzamide is sourced from PubChem (CID 10854110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).