(6S,7S)-6-methyl-7-phenyl-1,4-dioxa-10-azaspiro[4.9]tetradecan-11-one

C18H25NO3 — CID 146248444

IUPAC(6S,7S)-6-methyl-7-phenyl-1,4-dioxa-10-azaspiro[4.9]tetradecan-11-one
SMILESC[C@H]1[C@@H](c2ccccc2)CCNC(=O)CCCC12OCCO2
InChIInChI=1S/C18H25NO3/c1-14-16(15-6-3-2-4-7-15)9-11-19-17(20)8-5-10-18(14)21-12-13-22-18/h2-4,6-7,14,16H,5,8-13H2,1H3,(H,19,20)/t14-,16-/m0/s1
InChIKeyXJFNGPSFZAPMDX-HOCLYGCPSA-N
MW303.40 g/mol
LogP2.84
Rot. Bonds1

About (6S,7S)-6-methyl-7-phenyl-1,4-dioxa-10-azaspiro[4.9]tetradecan-11-one

(6S,7S)-6-methyl-7-phenyl-1,4-dioxa-10-azaspiro[4.9]tetradecan-11-one (PubChem CID 146248444) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is (6S,7S)-6-methyl-7-phenyl-1,4-dioxa-10-azaspiro[4.9]tetradecan-11-one.

Molecular Properties

Compound Name(6S,7S)-6-methyl-7-phenyl-1,4-dioxa-10-azaspiro[4.9]tetradecan-11-one
PubChem CID146248444
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Name(6S,7S)-6-methyl-7-phenyl-1,4-dioxa-10-azaspiro[4.9]tetradecan-11-one
SMILESC[C@H]1[C@@H](c2ccccc2)CCNC(=O)CCCC12OCCO2
InChIInChI=1S/C18H25NO3/c1-14-16(15-6-3-2-4-7-15)9-11-19-17(20)8-5-10-18(14)21-12-13-22-18/h2-4,6-7,14,16H,5,8-13H2,1H3,(H,19,20)/t14-,16-/m0/s1
InChIKeyXJFNGPSFZAPMDX-HOCLYGCPSA-N
XLogP2.84
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6S,7S)-6-methyl-7-phenyl-1,4-dioxa-10-azaspiro[4.9]tetradecan-11-one?
The IUPAC name of (6S,7S)-6-methyl-7-phenyl-1,4-dioxa-10-azaspiro[4.9]tetradecan-11-one (CID 146248444) is (6S,7S)-6-methyl-7-phenyl-1,4-dioxa-10-azaspiro[4.9]tetradecan-11-one.
What is the SMILES notation for (6S,7S)-6-methyl-7-phenyl-1,4-dioxa-10-azaspiro[4.9]tetradecan-11-one?
The canonical SMILES for (6S,7S)-6-methyl-7-phenyl-1,4-dioxa-10-azaspiro[4.9]tetradecan-11-one is C[C@H]1[C@@H](c2ccccc2)CCNC(=O)CCCC12OCCO2.
What is the InChIKey of (6S,7S)-6-methyl-7-phenyl-1,4-dioxa-10-azaspiro[4.9]tetradecan-11-one?
The InChIKey is XJFNGPSFZAPMDX-HOCLYGCPSA-N. The full InChI is InChI=1S/C18H25NO3/c1-14-16(15-6-3-2-4-7-15)9-11-19-17(20)8-5-10-18(14)21-12-13-22-18/h2-4,6-7,14,16H,5,8-13H2,1H3,(H,19,20)/t14-,16-/m0/s1.
What are the key properties of (6S,7S)-6-methyl-7-phenyl-1,4-dioxa-10-azaspiro[4.9]tetradecan-11-one?
(6S,7S)-6-methyl-7-phenyl-1,4-dioxa-10-azaspiro[4.9]tetradecan-11-one has a molecular weight of 303.40 g/mol, XLogP of 2.84, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,7S)-6-methyl-7-phenyl-1,4-dioxa-10-azaspiro[4.9]tetradecan-11-one is sourced from PubChem (CID 146248444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).