4-[2-(oxan-2-ylmethoxy)naphthalen-1-yl]benzamide

C23H23NO3 — CID 172666445

IUPAC4-[2-(oxan-2-ylmethoxy)naphthalen-1-yl]benzamide
SMILESNC(=O)c1ccc(-c2c(OCC3CCCCO3)ccc3ccccc23)cc1
InChIInChI=1S/C23H23NO3/c24-23(25)18-10-8-17(9-11-18)22-20-7-2-1-5-16(20)12-13-21(22)27-15-19-6-3-4-14-26-19/h1-2,5,7-13,19H,3-4,6,14-15H2,(H2,24,25)
InChIKeyZXFICORWYDKAFO-UHFFFAOYSA-N
MW361.44 g/mol
LogP4.55
Rot. Bonds5

About 4-[2-(oxan-2-ylmethoxy)naphthalen-1-yl]benzamide

4-[2-(oxan-2-ylmethoxy)naphthalen-1-yl]benzamide (PubChem CID 172666445) has the molecular formula C23H23NO3 and a molecular weight of 361.44 g/mol. Its IUPAC name is 4-[2-(oxan-2-ylmethoxy)naphthalen-1-yl]benzamide.

Molecular Properties

Compound Name4-[2-(oxan-2-ylmethoxy)naphthalen-1-yl]benzamide
PubChem CID172666445
Molecular FormulaC23H23NO3
Molecular Weight361.44 g/mol
Exact Mass361.17
IUPAC Name4-[2-(oxan-2-ylmethoxy)naphthalen-1-yl]benzamide
SMILESNC(=O)c1ccc(-c2c(OCC3CCCCO3)ccc3ccccc23)cc1
InChIInChI=1S/C23H23NO3/c24-23(25)18-10-8-17(9-11-18)22-20-7-2-1-5-16(20)12-13-21(22)27-15-19-6-3-4-14-26-19/h1-2,5,7-13,19H,3-4,6,14-15H2,(H2,24,25)
InChIKeyZXFICORWYDKAFO-UHFFFAOYSA-N
XLogP4.55
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-4-[2-(oxolan-2-ylmethoxy)naphthalen-1-yl]benzamide
CID 175640506
2-[4-[2-(oxolan-2-ylmethoxy)naphthalen-1-yl]phenyl]ethanamine;hydrochloride
CID 172910530
2-(oxolan-2-ylmethoxy)benzamide
CID 24633130
2-[2-(oxan-2-ylmethoxy)naphthalen-1-yl]ethanamine
CID 60905678
4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 2541314
2-[[1-[2-(oxiran-2-ylmethoxy)naphthalen-1-yl]naphthalen-2-yl]oxymethyl]oxirane
CID 86159181
N'-hydroxy-2-(oxan-2-ylmethoxy)benzenecarboximidamide
CID 43200025
2-amino-N-[2-(oxan-2-ylmethoxy)phenyl]acetamide
CID 119302622
(1R)-1-[1-(oxan-2-ylmethoxy)naphthalen-2-yl]ethanol
CID 78933863
(1R)-1-[1-(oxan-2-ylmethoxy)naphthalen-2-yl]ethanamine
CID 63368500
1-(oxolan-2-yl)-N-[[2-(oxolan-2-ylmethoxy)naphthalen-1-yl]methyl]methanamine
CID 54847849
ethyl 3-amino-4-(oxan-2-ylmethoxy)benzoate
CID 61307033

Frequently Asked Questions

What is the IUPAC name of 4-[2-(oxan-2-ylmethoxy)naphthalen-1-yl]benzamide?
The IUPAC name of 4-[2-(oxan-2-ylmethoxy)naphthalen-1-yl]benzamide (CID 172666445) is 4-[2-(oxan-2-ylmethoxy)naphthalen-1-yl]benzamide.
What is the SMILES notation for 4-[2-(oxan-2-ylmethoxy)naphthalen-1-yl]benzamide?
The canonical SMILES for 4-[2-(oxan-2-ylmethoxy)naphthalen-1-yl]benzamide is NC(=O)c1ccc(-c2c(OCC3CCCCO3)ccc3ccccc23)cc1.
What is the InChIKey of 4-[2-(oxan-2-ylmethoxy)naphthalen-1-yl]benzamide?
The InChIKey is ZXFICORWYDKAFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO3/c24-23(25)18-10-8-17(9-11-18)22-20-7-2-1-5-16(20)12-13-21(22)27-15-19-6-3-4-14-26-19/h1-2,5,7-13,19H,3-4,6,14-15H2,(H2,24,25).
What are the key properties of 4-[2-(oxan-2-ylmethoxy)naphthalen-1-yl]benzamide?
4-[2-(oxan-2-ylmethoxy)naphthalen-1-yl]benzamide has a molecular weight of 361.44 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(oxan-2-ylmethoxy)naphthalen-1-yl]benzamide is sourced from PubChem (CID 172666445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).