N-naphthalen-1-yl-4-[[(2S)-oxolan-2-yl]methoxy]benzamide

C22H21NO3 — CID 42580238

IUPACN-naphthalen-1-yl-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
SMILESO=C(Nc1cccc2ccccc12)c1ccc(OC[C@@H]2CCCO2)cc1
InChIInChI=1S/C22H21NO3/c24-22(23-21-9-3-6-16-5-1-2-8-20(16)21)17-10-12-18(13-11-17)26-15-19-7-4-14-25-19/h1-3,5-6,8-13,19H,4,7,14-15H2,(H,23,24)/t19-/m0/s1
InChIKeyNYNTVMYIMMRZJD-IBGZPJMESA-N
MW347.41 g/mol
LogP4.65
Rot. Bonds5

About N-naphthalen-1-yl-4-[[(2S)-oxolan-2-yl]methoxy]benzamide

N-naphthalen-1-yl-4-[[(2S)-oxolan-2-yl]methoxy]benzamide (PubChem CID 42580238) has the molecular formula C22H21NO3 and a molecular weight of 347.41 g/mol. Its IUPAC name is N-naphthalen-1-yl-4-[[(2S)-oxolan-2-yl]methoxy]benzamide.

Molecular Properties

Compound NameN-naphthalen-1-yl-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
PubChem CID42580238
Molecular FormulaC22H21NO3
Molecular Weight347.41 g/mol
Exact Mass347.15
IUPAC NameN-naphthalen-1-yl-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
SMILESO=C(Nc1cccc2ccccc12)c1ccc(OC[C@@H]2CCCO2)cc1
InChIInChI=1S/C22H21NO3/c24-22(23-21-9-3-6-16-5-1-2-8-20(16)21)17-10-12-18(13-11-17)26-15-19-7-4-14-25-19/h1-3,5-6,8-13,19H,4,7,14-15H2,(H,23,24)/t19-/m0/s1
InChIKeyNYNTVMYIMMRZJD-IBGZPJMESA-N
XLogP4.65
TPSA47.56 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 ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyanophenyl)-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 42580253
N-(2-ethylphenyl)-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 7750856
2-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]benzamide
CID 17222238
N-(2-ethoxyphenyl)-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 2590932
N-cyclopentyl-2-[[4-[[(2R)-oxolan-2-yl]methoxy]benzoyl]amino]benzamide
CID 31287648
N-[2-(2-methylpropoxy)phenyl]-4-(oxolan-2-ylmethoxy)benzamide
CID 17222367
N-[3-chloro-2-(dimethylamino)phenyl]-4-(oxolan-2-ylmethoxy)benzamide
CID 55700831
N'-benzoyl-4-[[(2R)-oxolan-2-yl]methoxy]benzohydrazide
CID 2093036
N-(2,6-dichlorophenyl)-4-(oxolan-2-ylmethoxy)benzamide
CID 54785933
N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]-4-phenylbenzamide
CID 9294955
4-(oxolan-2-ylmethoxy)-N-(2,4,5-trichlorophenyl)benzamide
CID 17222277
N-naphthalen-1-yl-2-[2-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54829466

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-4-[[(2S)-oxolan-2-yl]methoxy]benzamide?
The IUPAC name of N-naphthalen-1-yl-4-[[(2S)-oxolan-2-yl]methoxy]benzamide (CID 42580238) is N-naphthalen-1-yl-4-[[(2S)-oxolan-2-yl]methoxy]benzamide.
What is the SMILES notation for N-naphthalen-1-yl-4-[[(2S)-oxolan-2-yl]methoxy]benzamide?
The canonical SMILES for N-naphthalen-1-yl-4-[[(2S)-oxolan-2-yl]methoxy]benzamide is O=C(Nc1cccc2ccccc12)c1ccc(OC[C@@H]2CCCO2)cc1.
What is the InChIKey of N-naphthalen-1-yl-4-[[(2S)-oxolan-2-yl]methoxy]benzamide?
The InChIKey is NYNTVMYIMMRZJD-IBGZPJMESA-N. The full InChI is InChI=1S/C22H21NO3/c24-22(23-21-9-3-6-16-5-1-2-8-20(16)21)17-10-12-18(13-11-17)26-15-19-7-4-14-25-19/h1-3,5-6,8-13,19H,4,7,14-15H2,(H,23,24)/t19-/m0/s1.
What are the key properties of N-naphthalen-1-yl-4-[[(2S)-oxolan-2-yl]methoxy]benzamide?
N-naphthalen-1-yl-4-[[(2S)-oxolan-2-yl]methoxy]benzamide has a molecular weight of 347.41 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-4-[[(2S)-oxolan-2-yl]methoxy]benzamide is sourced from PubChem (CID 42580238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).