5-benzyl-9-hydroxy-6-propan-2-yl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one

C19H23NO3 — CID 43859618

IUPAC5-benzyl-9-hydroxy-6-propan-2-yl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one
SMILESCC(C)C12OC3C(O)C4CC3C1C4C(=O)N2Cc1ccccc1
InChIInChI=1S/C19H23NO3/c1-10(2)19-15-13-8-12(16(21)17(13)23-19)14(15)18(22)20(19)9-11-6-4-3-5-7-11/h3-7,10,12-17,21H,8-9H2,1-2H3
InChIKeyBJIFNWSWDNBBBT-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.02
Rot. Bonds3

About 5-benzyl-9-hydroxy-6-propan-2-yl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one

5-benzyl-9-hydroxy-6-propan-2-yl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one (PubChem CID 43859618) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is 5-benzyl-9-hydroxy-6-propan-2-yl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one.

Molecular Properties

Compound Name5-benzyl-9-hydroxy-6-propan-2-yl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one
PubChem CID43859618
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Name5-benzyl-9-hydroxy-6-propan-2-yl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one
SMILESCC(C)C12OC3C(O)C4CC3C1C4C(=O)N2Cc1ccccc1
InChIInChI=1S/C19H23NO3/c1-10(2)19-15-13-8-12(16(21)17(13)23-19)14(15)18(22)20(19)9-11-6-4-3-5-7-11/h3-7,10,12-17,21H,8-9H2,1-2H3
InChIKeyBJIFNWSWDNBBBT-UHFFFAOYSA-N
XLogP2.02
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-9-hydroxy-6-propan-2-yl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one?
The IUPAC name of 5-benzyl-9-hydroxy-6-propan-2-yl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one (CID 43859618) is 5-benzyl-9-hydroxy-6-propan-2-yl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one.
What is the SMILES notation for 5-benzyl-9-hydroxy-6-propan-2-yl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one?
The canonical SMILES for 5-benzyl-9-hydroxy-6-propan-2-yl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one is CC(C)C12OC3C(O)C4CC3C1C4C(=O)N2Cc1ccccc1.
What is the InChIKey of 5-benzyl-9-hydroxy-6-propan-2-yl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one?
The InChIKey is BJIFNWSWDNBBBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-10(2)19-15-13-8-12(16(21)17(13)23-19)14(15)18(22)20(19)9-11-6-4-3-5-7-11/h3-7,10,12-17,21H,8-9H2,1-2H3.
What are the key properties of 5-benzyl-9-hydroxy-6-propan-2-yl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one?
5-benzyl-9-hydroxy-6-propan-2-yl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one has a molecular weight of 313.40 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-9-hydroxy-6-propan-2-yl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one is sourced from PubChem (CID 43859618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).