3-(naphthalen-1-yloxymethyl)-N-propan-2-ylbenzamide

C21H21NO2 — CID 891835

IUPAC3-(naphthalen-1-yloxymethyl)-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1cccc(COc2cccc3ccccc23)c1
InChIInChI=1S/C21H21NO2/c1-15(2)22-21(23)18-10-5-7-16(13-18)14-24-20-12-6-9-17-8-3-4-11-19(17)20/h3-13,15H,14H2,1-2H3,(H,22,23)
InChIKeyCEZKPIDAVIVFIX-UHFFFAOYSA-N
MW319.40 g/mol
LogP4.56
Rot. Bonds5

About 3-(naphthalen-1-yloxymethyl)-N-propan-2-ylbenzamide

3-(naphthalen-1-yloxymethyl)-N-propan-2-ylbenzamide (PubChem CID 891835) has the molecular formula C21H21NO2 and a molecular weight of 319.40 g/mol. Its IUPAC name is 3-(naphthalen-1-yloxymethyl)-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name3-(naphthalen-1-yloxymethyl)-N-propan-2-ylbenzamide
PubChem CID891835
Molecular FormulaC21H21NO2
Molecular Weight319.40 g/mol
Exact Mass319.16
IUPAC Name3-(naphthalen-1-yloxymethyl)-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1cccc(COc2cccc3ccccc23)c1
InChIInChI=1S/C21H21NO2/c1-15(2)22-21(23)18-10-5-7-16(13-18)14-24-20-12-6-9-17-8-3-4-11-19(17)20/h3-13,15H,14H2,1-2H3,(H,22,23)
InChIKeyCEZKPIDAVIVFIX-UHFFFAOYSA-N
XLogP4.56
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-3-phenylmethoxy-N-propan-2-ylbenzamide
CID 82069733
4-bromo-3-phenylmethoxy-N-propan-2-ylbenzamide
CID 146673288
3-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]-N-propan-2-ylbenzamide
CID 155154016
2-[[3-(4-methylpentan-2-ylcarbamoyl)phenyl]methoxy]benzamide
CID 11696081
2-[(3-methylphenyl)methoxy]-N-propan-2-ylbenzamide
CID 18160109
3-[[2-(2-phenylmethoxyanilino)acetyl]amino]-N-propan-2-ylbenzamide
CID 54827989
4-(naphthalen-1-yloxymethyl)benzohydrazide
CID 948904
1-[4-(naphthalen-1-yloxymethyl)phenyl]ethanone
CID 134094222
3-[(2-bromophenoxy)methyl]-N-[1-(4-propan-2-ylphenyl)propyl]benzamide
CID 4766623
methyl 3-(isoquinolin-5-yloxymethyl)benzoate
CID 86198965
N-(2-methylpropyl)-3-(naphthalen-2-yloxymethyl)benzamide
CID 903861
3-(isoquinolin-5-yloxymethyl)benzoic acid
CID 12902801

Frequently Asked Questions

What is the IUPAC name of 3-(naphthalen-1-yloxymethyl)-N-propan-2-ylbenzamide?
The IUPAC name of 3-(naphthalen-1-yloxymethyl)-N-propan-2-ylbenzamide (CID 891835) is 3-(naphthalen-1-yloxymethyl)-N-propan-2-ylbenzamide.
What is the SMILES notation for 3-(naphthalen-1-yloxymethyl)-N-propan-2-ylbenzamide?
The canonical SMILES for 3-(naphthalen-1-yloxymethyl)-N-propan-2-ylbenzamide is CC(C)NC(=O)c1cccc(COc2cccc3ccccc23)c1.
What is the InChIKey of 3-(naphthalen-1-yloxymethyl)-N-propan-2-ylbenzamide?
The InChIKey is CEZKPIDAVIVFIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO2/c1-15(2)22-21(23)18-10-5-7-16(13-18)14-24-20-12-6-9-17-8-3-4-11-19(17)20/h3-13,15H,14H2,1-2H3,(H,22,23).
What are the key properties of 3-(naphthalen-1-yloxymethyl)-N-propan-2-ylbenzamide?
3-(naphthalen-1-yloxymethyl)-N-propan-2-ylbenzamide has a molecular weight of 319.40 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(naphthalen-1-yloxymethyl)-N-propan-2-ylbenzamide is sourced from PubChem (CID 891835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).