N,N-diethyl-4-[hydroxy(naphthalen-2-yl)methyl]benzamide

C22H23NO2 — CID 10616656

IUPACN,N-diethyl-4-[hydroxy(naphthalen-2-yl)methyl]benzamide
SMILESCCN(CC)C(=O)c1ccc(C(O)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C22H23NO2/c1-3-23(4-2)22(25)18-12-10-17(11-13-18)21(24)20-14-9-16-7-5-6-8-19(16)15-20/h5-15,21,24H,3-4H2,1-2H3
InChIKeyQPLMQCMCTBCJFW-UHFFFAOYSA-N
MW333.43 g/mol
LogP4.40
Rot. Bonds5

About N,N-diethyl-4-[hydroxy(naphthalen-2-yl)methyl]benzamide

N,N-diethyl-4-[hydroxy(naphthalen-2-yl)methyl]benzamide (PubChem CID 10616656) has the molecular formula C22H23NO2 and a molecular weight of 333.43 g/mol. Its IUPAC name is N,N-diethyl-4-[hydroxy(naphthalen-2-yl)methyl]benzamide.

Molecular Properties

Compound NameN,N-diethyl-4-[hydroxy(naphthalen-2-yl)methyl]benzamide
PubChem CID10616656
Molecular FormulaC22H23NO2
Molecular Weight333.43 g/mol
Exact Mass333.17
IUPAC NameN,N-diethyl-4-[hydroxy(naphthalen-2-yl)methyl]benzamide
SMILESCCN(CC)C(=O)c1ccc(C(O)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C22H23NO2/c1-3-23(4-2)22(25)18-12-10-17(11-13-18)21(24)20-14-9-16-7-5-6-8-19(16)15-20/h5-15,21,24H,3-4H2,1-2H3
InChIKeyQPLMQCMCTBCJFW-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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Related Compounds

N-tert-butyl-2-(3-hydroxy-4-{2-[(2-hydroxyethyl)[2-(naphthalen-2-yl)propan-2-yl]carbamoyl]phenyl}butyl)-N-(2-hydroxyethyl)benzamide
CID 461061
N-tert-Butyl-N-(2-hydroxyethyl)-4-methyl-2-[3-hydroxy-4-[2-[(2-hydroxyethyl)(1-methyl-1-phenylethyl)carbamoyl]phenyl]butyl]benzamide
CID 475018
4-[2-[Methyl(2-phenylethyl)amino]-2-oxoethyl]-8-phenylnaphthalene-2-carboxylic acid
CID 10550213
N-tert-Butyl-N-(2-hydroxyethyl)-2-[3-hydroxy-4-[2-[(2-hydroxyethyl)(1-methyl-1-phenylethyl)carbamoyl]-4-methylphenyl]butyl]benzamide
CID 461064
N-benzhydryl-4-(hydroxymethyl)benzamide
CID 2451102
6-[2-[(2R)-4-benzoyl-2-methyl-piperazin-1-yl]-2-oxo-acetyl]naphthalene-2-carboxylic acid
CID 5280297
Methyl 4-[(naphthalene-2-carbonylamino)methyl]benzoate
CID 4808058
5-[2-[Methyl(2-phenylethyl)amino]-2-oxoethyl]-2-phenylbenzoic acid
CID 10761890
2-[4-[[(3,5-Dimethylbenzoyl)-(3-phenylpropyl)amino]methyl]phenyl]benzoic acid
CID 66773650
(E)-3-[3-[3-(hydroxymethyl)phenyl]-5-(2-phenylethylcarbamoyl)phenyl]prop-2-enoic acid
CID 135304832
4-(3-(Bis(beta-hydroxyphenethyl)amino)butyl)benzamide
CID 146200
4-[2-(Hydroxymethyl)naphthalen-1-Yl]-N-[2-(Morpholin-4-Yl)ethyl]benzamide
CID 60196237

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[hydroxy(naphthalen-2-yl)methyl]benzamide?
The IUPAC name of N,N-diethyl-4-[hydroxy(naphthalen-2-yl)methyl]benzamide (CID 10616656) is N,N-diethyl-4-[hydroxy(naphthalen-2-yl)methyl]benzamide.
What is the SMILES notation for N,N-diethyl-4-[hydroxy(naphthalen-2-yl)methyl]benzamide?
The canonical SMILES for N,N-diethyl-4-[hydroxy(naphthalen-2-yl)methyl]benzamide is CCN(CC)C(=O)c1ccc(C(O)c2ccc3ccccc3c2)cc1.
What is the InChIKey of N,N-diethyl-4-[hydroxy(naphthalen-2-yl)methyl]benzamide?
The InChIKey is QPLMQCMCTBCJFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO2/c1-3-23(4-2)22(25)18-12-10-17(11-13-18)21(24)20-14-9-16-7-5-6-8-19(16)15-20/h5-15,21,24H,3-4H2,1-2H3.
What are the key properties of N,N-diethyl-4-[hydroxy(naphthalen-2-yl)methyl]benzamide?
N,N-diethyl-4-[hydroxy(naphthalen-2-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-2-yl)methyl]benzamide is sourced from PubChem (CID 10616656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).