(5R)-13-benzyl-7,10-dioxa-3,13-diazadispiro[4.0.46.45]tetradecan-4-one

C17H22N2O3 — CID 97289840

IUPAC(5R)-13-benzyl-7,10-dioxa-3,13-diazadispiro[4.0.46.45]tetradecan-4-one
SMILESO=C1NCC[C@]12CN(Cc1ccccc1)CCC21OCCO1
InChIInChI=1S/C17H22N2O3/c20-15-16(6-8-18-15)13-19(12-14-4-2-1-3-5-14)9-7-17(16)21-10-11-22-17/h1-5H,6-13H2,(H,18,20)/t16-/m0/s1
InChIKeyQSEYFZVYMMXJOR-INIZCTEOSA-N
MW302.37 g/mol
LogP1.14
Rot. Bonds2

About (5R)-13-benzyl-7,10-dioxa-3,13-diazadispiro[4.0.46.45]tetradecan-4-one

(5R)-13-benzyl-7,10-dioxa-3,13-diazadispiro[4.0.46.45]tetradecan-4-one (PubChem CID 97289840) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is (5R)-13-benzyl-7,10-dioxa-3,13-diazadispiro[4.0.46.45]tetradecan-4-one.

Molecular Properties

Compound Name(5R)-13-benzyl-7,10-dioxa-3,13-diazadispiro[4.0.46.45]tetradecan-4-one
PubChem CID97289840
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name(5R)-13-benzyl-7,10-dioxa-3,13-diazadispiro[4.0.46.45]tetradecan-4-one
SMILESO=C1NCC[C@]12CN(Cc1ccccc1)CCC21OCCO1
InChIInChI=1S/C17H22N2O3/c20-15-16(6-8-18-15)13-19(12-14-4-2-1-3-5-14)9-7-17(16)21-10-11-22-17/h1-5H,6-13H2,(H,18,20)/t16-/m0/s1
InChIKeyQSEYFZVYMMXJOR-INIZCTEOSA-N
XLogP1.14
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (5R)-13-benzyl-7,10-dioxa-3,13-diazadispiro[4.0.46.45]tetradecan-4-one with MolForge

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Related Compounds

2-benzyl-6-oxa-2,8-diazaspiro[4.5]decan-7-one
CID 165471452
(5S)-7-benzyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 28881549
9-benzyl-2,9-diazaspiro[5.5]undecan-1-one
CID 118960394
2-benzyl-2,6-diazaspiro[4.5]decan-9-one
CID 22291215
(5R)-2-benzyl-2,7-diazaspiro[4.4]nonane
CID 34178522
2-benzyl-6-oxa-2-azaspiro[4.5]decane
CID 82390526
7-(1-benzylpyrazol-3-yl)-2,7-diazaspiro[4.4]nonan-1-one
CID 126655484
1-benzyl-9-[(3-fluorophenyl)methyl]-1,4,9-triazaspiro[5.5]undecan-5-one
CID 97495875
7-benzyl-1,7-diazaspiro[4.4]nonan-2-one
CID 83823846
(5R)-9-acetyl-6-benzyl-2,6,9-triazaspiro[4.5]decan-1-one
CID 168833923
2-benzyl-2,7-diazaspiro[4.4]nonane;methanamine
CID 142253116
(5S)-9-methylsulfonyl-13-(pyridin-3-ylmethyl)-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one
CID 97360382

Frequently Asked Questions

What is the IUPAC name of (5R)-13-benzyl-7,10-dioxa-3,13-diazadispiro[4.0.46.45]tetradecan-4-one?
The IUPAC name of (5R)-13-benzyl-7,10-dioxa-3,13-diazadispiro[4.0.46.45]tetradecan-4-one (CID 97289840) is (5R)-13-benzyl-7,10-dioxa-3,13-diazadispiro[4.0.46.45]tetradecan-4-one.
What is the SMILES notation for (5R)-13-benzyl-7,10-dioxa-3,13-diazadispiro[4.0.46.45]tetradecan-4-one?
The canonical SMILES for (5R)-13-benzyl-7,10-dioxa-3,13-diazadispiro[4.0.46.45]tetradecan-4-one is O=C1NCC[C@]12CN(Cc1ccccc1)CCC21OCCO1.
What is the InChIKey of (5R)-13-benzyl-7,10-dioxa-3,13-diazadispiro[4.0.46.45]tetradecan-4-one?
The InChIKey is QSEYFZVYMMXJOR-INIZCTEOSA-N. The full InChI is InChI=1S/C17H22N2O3/c20-15-16(6-8-18-15)13-19(12-14-4-2-1-3-5-14)9-7-17(16)21-10-11-22-17/h1-5H,6-13H2,(H,18,20)/t16-/m0/s1.
What are the key properties of (5R)-13-benzyl-7,10-dioxa-3,13-diazadispiro[4.0.46.45]tetradecan-4-one?
(5R)-13-benzyl-7,10-dioxa-3,13-diazadispiro[4.0.46.45]tetradecan-4-one has a molecular weight of 302.37 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-13-benzyl-7,10-dioxa-3,13-diazadispiro[4.0.46.45]tetradecan-4-one is sourced from PubChem (CID 97289840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).