8-(2-amino-2-methylpropyl)-3-[(2R)-2-phenylpropyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C20H31N3O2 — CID 95871783

IUPAC8-(2-amino-2-methylpropyl)-3-[(2R)-2-phenylpropyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESC[C@@H](CN1CC2(CCN(CC(C)(C)N)CC2)OC1=O)c1ccccc1
InChIInChI=1S/C20H31N3O2/c1-16(17-7-5-4-6-8-17)13-23-15-20(25-18(23)24)9-11-22(12-10-20)14-19(2,3)21/h4-8,16H,9-15,21H2,1-3H3/t16-/m0/s1
InChIKeyHSMCTZQRAGAZJF-INIZCTEOSA-N
MW345.49 g/mol
LogP2.81
Rot. Bonds5

About 8-(2-amino-2-methylpropyl)-3-[(2R)-2-phenylpropyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

8-(2-amino-2-methylpropyl)-3-[(2R)-2-phenylpropyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 95871783) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is 8-(2-amino-2-methylpropyl)-3-[(2R)-2-phenylpropyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(2-amino-2-methylpropyl)-3-[(2R)-2-phenylpropyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID95871783
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC Name8-(2-amino-2-methylpropyl)-3-[(2R)-2-phenylpropyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESC[C@@H](CN1CC2(CCN(CC(C)(C)N)CC2)OC1=O)c1ccccc1
InChIInChI=1S/C20H31N3O2/c1-16(17-7-5-4-6-8-17)13-23-15-20(25-18(23)24)9-11-22(12-10-20)14-19(2,3)21/h4-8,16H,9-15,21H2,1-3H3/t16-/m0/s1
InChIKeyHSMCTZQRAGAZJF-INIZCTEOSA-N
XLogP2.81
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(2-amino-2-methylpropyl)-3-[(2R)-2-phenylpropyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(2-amino-2-methylpropyl)-3-[(2R)-2-phenylpropyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 95871783) is 8-(2-amino-2-methylpropyl)-3-[(2R)-2-phenylpropyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(2-amino-2-methylpropyl)-3-[(2R)-2-phenylpropyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(2-amino-2-methylpropyl)-3-[(2R)-2-phenylpropyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is C[C@@H](CN1CC2(CCN(CC(C)(C)N)CC2)OC1=O)c1ccccc1.
What is the InChIKey of 8-(2-amino-2-methylpropyl)-3-[(2R)-2-phenylpropyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is HSMCTZQRAGAZJF-INIZCTEOSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-16(17-7-5-4-6-8-17)13-23-15-20(25-18(23)24)9-11-22(12-10-20)14-19(2,3)21/h4-8,16H,9-15,21H2,1-3H3/t16-/m0/s1.
What are the key properties of 8-(2-amino-2-methylpropyl)-3-[(2R)-2-phenylpropyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
8-(2-amino-2-methylpropyl)-3-[(2R)-2-phenylpropyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 345.49 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-amino-2-methylpropyl)-3-[(2R)-2-phenylpropyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 95871783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).