N-[(4-hydroxyoxan-4-yl)methyl]-2-naphthalen-2-yloxyacetamide

C18H21NO4 — CID 56765194

IUPACN-[(4-hydroxyoxan-4-yl)methyl]-2-naphthalen-2-yloxyacetamide
SMILESO=C(COc1ccc2ccccc2c1)NCC1(O)CCOCC1
InChIInChI=1S/C18H21NO4/c20-17(19-13-18(21)7-9-22-10-8-18)12-23-16-6-5-14-3-1-2-4-15(14)11-16/h1-6,11,21H,7-10,12-13H2,(H,19,20)
InChIKeySHXBYLRYUONCIO-UHFFFAOYSA-N
MW315.37 g/mol
LogP1.88
Rot. Bonds5

About N-[(4-hydroxyoxan-4-yl)methyl]-2-naphthalen-2-yloxyacetamide

N-[(4-hydroxyoxan-4-yl)methyl]-2-naphthalen-2-yloxyacetamide (PubChem CID 56765194) has the molecular formula C18H21NO4 and a molecular weight of 315.37 g/mol. Its IUPAC name is N-[(4-hydroxyoxan-4-yl)methyl]-2-naphthalen-2-yloxyacetamide.

Molecular Properties

Compound NameN-[(4-hydroxyoxan-4-yl)methyl]-2-naphthalen-2-yloxyacetamide
PubChem CID56765194
Molecular FormulaC18H21NO4
Molecular Weight315.37 g/mol
Exact Mass315.15
IUPAC NameN-[(4-hydroxyoxan-4-yl)methyl]-2-naphthalen-2-yloxyacetamide
SMILESO=C(COc1ccc2ccccc2c1)NCC1(O)CCOCC1
InChIInChI=1S/C18H21NO4/c20-17(19-13-18(21)7-9-22-10-8-18)12-23-16-6-5-14-3-1-2-4-15(14)11-16/h1-6,11,21H,7-10,12-13H2,(H,19,20)
InChIKeySHXBYLRYUONCIO-UHFFFAOYSA-N
XLogP1.88
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]-2-naphthalen-2-yloxyacetamide
CID 129397645
N-[(1-hydroxycyclobutyl)methyl]-2-naphthalen-2-yloxyacetamide
CID 111445201
2-naphthalen-2-yloxy-N-[(4-phenylsulfanyloxan-4-yl)methyl]acetamide
CID 90523286
2-(3-ethylphenoxy)-N-[(4-hydroxyoxan-4-yl)methyl]acetamide
CID 79037319
2-naphthalen-2-yloxy-N-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]acetamide
CID 60571880
2-(4-fluorophenoxy)-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]acetamide
CID 129397646
N-[(4-methoxyoxan-4-yl)methyl]-3-naphthalen-2-yloxypropanamide
CID 166225273
N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-2-phenoxyacetamide
CID 110292724
N-(cyanomethyl)-2-naphthalen-2-yloxyacetamide
CID 51103110
N-[(4-hydroxyoxan-4-yl)methyl]-2-phenylacetamide
CID 79038917
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-naphthalen-2-yloxyacetamide;hydrochloride
CID 120890968
N-[(3-hydroxyoxolan-3-yl)methyl]naphthalene-2-carboxamide
CID 103848682

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxyoxan-4-yl)methyl]-2-naphthalen-2-yloxyacetamide?
The IUPAC name of N-[(4-hydroxyoxan-4-yl)methyl]-2-naphthalen-2-yloxyacetamide (CID 56765194) is N-[(4-hydroxyoxan-4-yl)methyl]-2-naphthalen-2-yloxyacetamide.
What is the SMILES notation for N-[(4-hydroxyoxan-4-yl)methyl]-2-naphthalen-2-yloxyacetamide?
The canonical SMILES for N-[(4-hydroxyoxan-4-yl)methyl]-2-naphthalen-2-yloxyacetamide is O=C(COc1ccc2ccccc2c1)NCC1(O)CCOCC1.
What is the InChIKey of N-[(4-hydroxyoxan-4-yl)methyl]-2-naphthalen-2-yloxyacetamide?
The InChIKey is SHXBYLRYUONCIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4/c20-17(19-13-18(21)7-9-22-10-8-18)12-23-16-6-5-14-3-1-2-4-15(14)11-16/h1-6,11,21H,7-10,12-13H2,(H,19,20).
What are the key properties of N-[(4-hydroxyoxan-4-yl)methyl]-2-naphthalen-2-yloxyacetamide?
N-[(4-hydroxyoxan-4-yl)methyl]-2-naphthalen-2-yloxyacetamide has a molecular weight of 315.37 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxyoxan-4-yl)methyl]-2-naphthalen-2-yloxyacetamide is sourced from PubChem (CID 56765194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).