4-(naphthalen-1-ylmethyl)-6-phenylmethoxy-1,4-oxazepane

C23H25NO2 — CID 156549737

IUPAC4-(naphthalen-1-ylmethyl)-6-phenylmethoxy-1,4-oxazepane
SMILESc1ccc(COC2COCCN(Cc3cccc4ccccc34)C2)cc1
InChIInChI=1S/C23H25NO2/c1-2-7-19(8-3-1)17-26-22-16-24(13-14-25-18-22)15-21-11-6-10-20-9-4-5-12-23(20)21/h1-12,22H,13-18H2
InChIKeyRLJHYKHMAMTNBR-UHFFFAOYSA-N
MW347.46 g/mol
LogP4.26
Rot. Bonds5

About 4-(naphthalen-1-ylmethyl)-6-phenylmethoxy-1,4-oxazepane

4-(naphthalen-1-ylmethyl)-6-phenylmethoxy-1,4-oxazepane (PubChem CID 156549737) has the molecular formula C23H25NO2 and a molecular weight of 347.46 g/mol. Its IUPAC name is 4-(naphthalen-1-ylmethyl)-6-phenylmethoxy-1,4-oxazepane.

Molecular Properties

Compound Name4-(naphthalen-1-ylmethyl)-6-phenylmethoxy-1,4-oxazepane
PubChem CID156549737
Molecular FormulaC23H25NO2
Molecular Weight347.46 g/mol
Exact Mass347.19
IUPAC Name4-(naphthalen-1-ylmethyl)-6-phenylmethoxy-1,4-oxazepane
SMILESc1ccc(COC2COCCN(Cc3cccc4ccccc34)C2)cc1
InChIInChI=1S/C23H25NO2/c1-2-7-19(8-3-1)17-26-22-16-24(13-14-25-18-22)15-21-11-6-10-20-9-4-5-12-23(20)21/h1-12,22H,13-18H2
InChIKeyRLJHYKHMAMTNBR-UHFFFAOYSA-N
XLogP4.26
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

phenyl-[(6R)-6-phenylmethoxy-1,4-oxazepan-4-yl]methanone
CID 75367813
1,4-bis(naphthalen-1-ylmethyl)piperazine
CID 4846171
N-methyl-1-(naphthalen-1-ylmethyl)pyrrolidin-3-amine
CID 62369278
4-(4-fluorophenyl)sulfonyl-6-phenylmethoxy-1,4-oxazepane
CID 162795674
4-[(4-chlorophenyl)methyl]-6-phenoxy-1,4-oxazepane
CID 162808656
3-bromo-1-(naphthalen-1-ylmethyl)pyrrolidine
CID 80675511
3-methyl-1-(naphthalen-1-ylmethyl)pyrrolidine
CID 23396966
(3S)-1-(naphthalen-1-ylmethyl)pyrrolidin-3-amine
CID 10680771
(3R)-1-(naphthalen-1-ylmethyl)pyrrolidin-3-ol
CID 10823187
1-[(3-bromo-2-phenylmethoxyphenyl)methyl]-3-methoxypyrrolidine
CID 172647805
(6R)-6-(3-methylbutoxy)-4-(pyridin-2-ylmethyl)-1,4-oxazepane
CID 75367807
N-methyl-1-(naphthalen-1-ylmethyl)piperidin-3-amine
CID 62536724

Frequently Asked Questions

What is the IUPAC name of 4-(naphthalen-1-ylmethyl)-6-phenylmethoxy-1,4-oxazepane?
The IUPAC name of 4-(naphthalen-1-ylmethyl)-6-phenylmethoxy-1,4-oxazepane (CID 156549737) is 4-(naphthalen-1-ylmethyl)-6-phenylmethoxy-1,4-oxazepane.
What is the SMILES notation for 4-(naphthalen-1-ylmethyl)-6-phenylmethoxy-1,4-oxazepane?
The canonical SMILES for 4-(naphthalen-1-ylmethyl)-6-phenylmethoxy-1,4-oxazepane is c1ccc(COC2COCCN(Cc3cccc4ccccc34)C2)cc1.
What is the InChIKey of 4-(naphthalen-1-ylmethyl)-6-phenylmethoxy-1,4-oxazepane?
The InChIKey is RLJHYKHMAMTNBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO2/c1-2-7-19(8-3-1)17-26-22-16-24(13-14-25-18-22)15-21-11-6-10-20-9-4-5-12-23(20)21/h1-12,22H,13-18H2.
What are the key properties of 4-(naphthalen-1-ylmethyl)-6-phenylmethoxy-1,4-oxazepane?
4-(naphthalen-1-ylmethyl)-6-phenylmethoxy-1,4-oxazepane has a molecular weight of 347.46 g/mol, XLogP of 4.26, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(naphthalen-1-ylmethyl)-6-phenylmethoxy-1,4-oxazepane is sourced from PubChem (CID 156549737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).