(2R)-4-cyclopropyl-2-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

C20H28N2O2 — CID 118560973

IUPAC(2R)-4-cyclopropyl-2-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESC[C@H]1OC2(CCN(CCc3ccccc3)CC2)CN(C2CC2)C1=O
InChIInChI=1S/C20H28N2O2/c1-16-19(23)22(18-7-8-18)15-20(24-16)10-13-21(14-11-20)12-9-17-5-3-2-4-6-17/h2-6,16,18H,7-15H2,1H3/t16-/m1/s1
InChIKeyBZPKTOXVMUIFBK-MRXNPFEDSA-N
MW328.46 g/mol
LogP2.47
Rot. Bonds4

About (2R)-4-cyclopropyl-2-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

(2R)-4-cyclopropyl-2-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 118560973) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is (2R)-4-cyclopropyl-2-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name(2R)-4-cyclopropyl-2-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID118560973
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Name(2R)-4-cyclopropyl-2-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESC[C@H]1OC2(CCN(CCc3ccccc3)CC2)CN(C2CC2)C1=O
InChIInChI=1S/C20H28N2O2/c1-16-19(23)22(18-7-8-18)15-20(24-16)10-13-21(14-11-20)12-9-17-5-3-2-4-6-17/h2-6,16,18H,7-15H2,1H3/t16-/m1/s1
InChIKeyBZPKTOXVMUIFBK-MRXNPFEDSA-N
XLogP2.47
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-cyclopropyl-2-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of (2R)-4-cyclopropyl-2-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 118560973) is (2R)-4-cyclopropyl-2-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for (2R)-4-cyclopropyl-2-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for (2R)-4-cyclopropyl-2-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is C[C@H]1OC2(CCN(CCc3ccccc3)CC2)CN(C2CC2)C1=O.
What is the InChIKey of (2R)-4-cyclopropyl-2-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is BZPKTOXVMUIFBK-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-16-19(23)22(18-7-8-18)15-20(24-16)10-13-21(14-11-20)12-9-17-5-3-2-4-6-17/h2-6,16,18H,7-15H2,1H3/t16-/m1/s1.
What are the key properties of (2R)-4-cyclopropyl-2-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
(2R)-4-cyclopropyl-2-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 328.46 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-cyclopropyl-2-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 118560973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).