1-[(2R)-2-ethyl-1,4-oxazepan-4-yl]-3-(1-hydroxynaphthalen-2-yl)propan-1-one

C20H25NO3 — CID 125144462

IUPAC1-[(2R)-2-ethyl-1,4-oxazepan-4-yl]-3-(1-hydroxynaphthalen-2-yl)propan-1-one
SMILESCC[C@@H]1CN(C(=O)CCc2ccc3ccccc3c2O)CCCO1
InChIInChI=1S/C20H25NO3/c1-2-17-14-21(12-5-13-24-17)19(22)11-10-16-9-8-15-6-3-4-7-18(15)20(16)23/h3-4,6-9,17,23H,2,5,10-14H2,1H3/t17-/m1/s1
InChIKeyGCICNKDLWKFMTR-QGZVFWFLSA-N
MW327.42 g/mol
LogP3.51
Rot. Bonds4

About 1-[(2R)-2-ethyl-1,4-oxazepan-4-yl]-3-(1-hydroxynaphthalen-2-yl)propan-1-one

1-[(2R)-2-ethyl-1,4-oxazepan-4-yl]-3-(1-hydroxynaphthalen-2-yl)propan-1-one (PubChem CID 125144462) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is 1-[(2R)-2-ethyl-1,4-oxazepan-4-yl]-3-(1-hydroxynaphthalen-2-yl)propan-1-one.

Molecular Properties

Compound Name1-[(2R)-2-ethyl-1,4-oxazepan-4-yl]-3-(1-hydroxynaphthalen-2-yl)propan-1-one
PubChem CID125144462
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC Name1-[(2R)-2-ethyl-1,4-oxazepan-4-yl]-3-(1-hydroxynaphthalen-2-yl)propan-1-one
SMILESCC[C@@H]1CN(C(=O)CCc2ccc3ccccc3c2O)CCCO1
InChIInChI=1S/C20H25NO3/c1-2-17-14-21(12-5-13-24-17)19(22)11-10-16-9-8-15-6-3-4-7-18(15)20(16)23/h3-4,6-9,17,23H,2,5,10-14H2,1H3/t17-/m1/s1
InChIKeyGCICNKDLWKFMTR-QGZVFWFLSA-N
XLogP3.51
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-ethyl-1,4-oxazepan-4-yl]-3-(1-hydroxynaphthalen-2-yl)propan-1-one?
The IUPAC name of 1-[(2R)-2-ethyl-1,4-oxazepan-4-yl]-3-(1-hydroxynaphthalen-2-yl)propan-1-one (CID 125144462) is 1-[(2R)-2-ethyl-1,4-oxazepan-4-yl]-3-(1-hydroxynaphthalen-2-yl)propan-1-one.
What is the SMILES notation for 1-[(2R)-2-ethyl-1,4-oxazepan-4-yl]-3-(1-hydroxynaphthalen-2-yl)propan-1-one?
The canonical SMILES for 1-[(2R)-2-ethyl-1,4-oxazepan-4-yl]-3-(1-hydroxynaphthalen-2-yl)propan-1-one is CC[C@@H]1CN(C(=O)CCc2ccc3ccccc3c2O)CCCO1.
What is the InChIKey of 1-[(2R)-2-ethyl-1,4-oxazepan-4-yl]-3-(1-hydroxynaphthalen-2-yl)propan-1-one?
The InChIKey is GCICNKDLWKFMTR-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H25NO3/c1-2-17-14-21(12-5-13-24-17)19(22)11-10-16-9-8-15-6-3-4-7-18(15)20(16)23/h3-4,6-9,17,23H,2,5,10-14H2,1H3/t17-/m1/s1.
What are the key properties of 1-[(2R)-2-ethyl-1,4-oxazepan-4-yl]-3-(1-hydroxynaphthalen-2-yl)propan-1-one?
1-[(2R)-2-ethyl-1,4-oxazepan-4-yl]-3-(1-hydroxynaphthalen-2-yl)propan-1-one has a molecular weight of 327.42 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-ethyl-1,4-oxazepan-4-yl]-3-(1-hydroxynaphthalen-2-yl)propan-1-one is sourced from PubChem (CID 125144462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).