3-[(1S)-1-(4-methylphenyl)propyl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione

C19H25NO3 — CID 67995690

IUPAC3-[(1S)-1-(4-methylphenyl)propyl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione
SMILESCC[C@@H](c1ccc(C)cc1)N1CCC2(CCC(=O)CC2)OC1=O
InChIInChI=1S/C19H25NO3/c1-3-17(15-6-4-14(2)5-7-15)20-13-12-19(23-18(20)22)10-8-16(21)9-11-19/h4-7,17H,3,8-13H2,1-2H3/t17-/m0/s1
InChIKeyMRFMEQCNJLPTMR-KRWDZBQOSA-N
MW315.41 g/mol
LogP4.17
Rot. Bonds3

About 3-[(1S)-1-(4-methylphenyl)propyl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione

3-[(1S)-1-(4-methylphenyl)propyl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione (PubChem CID 67995690) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is 3-[(1S)-1-(4-methylphenyl)propyl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione.

Molecular Properties

Compound Name3-[(1S)-1-(4-methylphenyl)propyl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione
PubChem CID67995690
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC Name3-[(1S)-1-(4-methylphenyl)propyl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione
SMILESCC[C@@H](c1ccc(C)cc1)N1CCC2(CCC(=O)CC2)OC1=O
InChIInChI=1S/C19H25NO3/c1-3-17(15-6-4-14(2)5-7-15)20-13-12-19(23-18(20)22)10-8-16(21)9-11-19/h4-7,17H,3,8-13H2,1-2H3/t17-/m0/s1
InChIKeyMRFMEQCNJLPTMR-KRWDZBQOSA-N
XLogP4.17
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(1S)-1-(4-methylphenyl)propyl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione?
The IUPAC name of 3-[(1S)-1-(4-methylphenyl)propyl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione (CID 67995690) is 3-[(1S)-1-(4-methylphenyl)propyl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione.
What is the SMILES notation for 3-[(1S)-1-(4-methylphenyl)propyl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione?
The canonical SMILES for 3-[(1S)-1-(4-methylphenyl)propyl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione is CC[C@@H](c1ccc(C)cc1)N1CCC2(CCC(=O)CC2)OC1=O.
What is the InChIKey of 3-[(1S)-1-(4-methylphenyl)propyl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione?
The InChIKey is MRFMEQCNJLPTMR-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H25NO3/c1-3-17(15-6-4-14(2)5-7-15)20-13-12-19(23-18(20)22)10-8-16(21)9-11-19/h4-7,17H,3,8-13H2,1-2H3/t17-/m0/s1.
What are the key properties of 3-[(1S)-1-(4-methylphenyl)propyl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione?
3-[(1S)-1-(4-methylphenyl)propyl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione has a molecular weight of 315.41 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S)-1-(4-methylphenyl)propyl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione is sourced from PubChem (CID 67995690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).