(5S)-8-benzyl-13-ethyl-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecan-14-one

C20H28N2O2 — CID 129053848

IUPAC(5S)-8-benzyl-13-ethyl-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecan-14-one
SMILESCCN1C[C@@]2(CCCN(Cc3ccccc3)CC2)OC2(CC2)C1=O
InChIInChI=1S/C20H28N2O2/c1-2-22-16-19(24-20(10-11-20)18(22)23)9-6-13-21(14-12-19)15-17-7-4-3-5-8-17/h3-5,7-8H,2,6,9-16H2,1H3/t19-/m0/s1
InChIKeyNBGKEOUVHIEVLT-IBGZPJMESA-N
MW328.46 g/mol
LogP2.82
Rot. Bonds3

About (5S)-8-benzyl-13-ethyl-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecan-14-one

(5S)-8-benzyl-13-ethyl-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecan-14-one (PubChem CID 129053848) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is (5S)-8-benzyl-13-ethyl-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecan-14-one.

Molecular Properties

Compound Name(5S)-8-benzyl-13-ethyl-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecan-14-one
PubChem CID129053848
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Name(5S)-8-benzyl-13-ethyl-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecan-14-one
SMILESCCN1C[C@@]2(CCCN(Cc3ccccc3)CC2)OC2(CC2)C1=O
InChIInChI=1S/C20H28N2O2/c1-2-22-16-19(24-20(10-11-20)18(22)23)9-6-13-21(14-12-19)15-17-7-4-3-5-8-17/h3-5,7-8H,2,6,9-16H2,1H3/t19-/m0/s1
InChIKeyNBGKEOUVHIEVLT-IBGZPJMESA-N
XLogP2.82
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (5S)-8-benzyl-13-ethyl-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecan-14-one with MolForge

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Related Compounds

9-benzyl-4-ethyl-2,2-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 135332705
12-ethyl-7-(2-phenylethyl)-4-oxa-7,12-diazadispiro[2.1.55.33]tridecan-13-one
CID 129053879
4-[(13-methyl-14-oxo-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecan-8-yl)methyl]benzonitrile
CID 129070051
12-ethyl-8-(2-phenylethylamino)-4-oxa-12-azadispiro[2.1.55.33]tridecan-13-one
CID 129053654
3-[2-(12-ethyl-13-oxo-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-8-yl)ethyl]benzonitrile
CID 118560949
(3S)-7-benzyl-1-oxa-7-azaspiro[2.5]octane
CID 92976100
4-benzyl-10-[(3-fluorophenyl)methyl]-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
CID 155986291
12-ethyl-8-[2-(3-methyl-2-pyridinyl)ethyl]-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one;hydrochloride
CID 162315070
8-benzyl-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;1-benzyl-4-hydroxypiperidine-4-carbonitrile
CID 91558624
4-[[(2S,6R)-4-ethyl-2-methyl-3-oxo-1-oxa-4,10-diazaspiro[5.6]dodecan-10-yl]methyl]benzonitrile
CID 129070049
4-ethyl-2,2-dimethyl-10-(3-methylbutyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
CID 129069856
2-benzyl-6-oxa-2-azaspiro[4.5]decane
CID 82390526

Frequently Asked Questions

What is the IUPAC name of (5S)-8-benzyl-13-ethyl-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecan-14-one?
The IUPAC name of (5S)-8-benzyl-13-ethyl-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecan-14-one (CID 129053848) is (5S)-8-benzyl-13-ethyl-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecan-14-one.
What is the SMILES notation for (5S)-8-benzyl-13-ethyl-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecan-14-one?
The canonical SMILES for (5S)-8-benzyl-13-ethyl-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecan-14-one is CCN1C[C@@]2(CCCN(Cc3ccccc3)CC2)OC2(CC2)C1=O.
What is the InChIKey of (5S)-8-benzyl-13-ethyl-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecan-14-one?
The InChIKey is NBGKEOUVHIEVLT-IBGZPJMESA-N. The full InChI is InChI=1S/C20H28N2O2/c1-2-22-16-19(24-20(10-11-20)18(22)23)9-6-13-21(14-12-19)15-17-7-4-3-5-8-17/h3-5,7-8H,2,6,9-16H2,1H3/t19-/m0/s1.
What are the key properties of (5S)-8-benzyl-13-ethyl-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecan-14-one?
(5S)-8-benzyl-13-ethyl-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecan-14-one has a molecular weight of 328.46 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-8-benzyl-13-ethyl-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecan-14-one is sourced from PubChem (CID 129053848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).