(2S,3R)-3-hydroxy-N,N-dimethyl-2-[methyl-[[5-(2-methylpropyl)-3-oxo-2,5-diazaspiro[3.4]octan-6-yl]methyl]amino]butanamide

C18H34N4O3 — CID 139374263

IUPAC(2S,3R)-3-hydroxy-N,N-dimethyl-2-[methyl-[[5-(2-methylpropyl)-3-oxo-2,5-diazaspiro[3.4]octan-6-yl]methyl]amino]butanamide
SMILESCC(C)CN1C(CN(C)[C@H](C(=O)N(C)C)[C@@H](C)O)CCC12CNC2=O
InChIInChI=1S/C18H34N4O3/c1-12(2)9-22-14(7-8-18(22)11-19-17(18)25)10-21(6)15(13(3)23)16(24)20(4)5/h12-15,23H,7-11H2,1-6H3,(H,19,25)/t13-,14?,15+,18?/m1/s1
InChIKeyNZMFHJDZOFEDPC-GBRKPNRJSA-N
MW354.50 g/mol
LogP-0.26
Rot. Bonds7

About (2S,3R)-3-hydroxy-N,N-dimethyl-2-[methyl-[[5-(2-methylpropyl)-3-oxo-2,5-diazaspiro[3.4]octan-6-yl]methyl]amino]butanamide

(2S,3R)-3-hydroxy-N,N-dimethyl-2-[methyl-[[5-(2-methylpropyl)-3-oxo-2,5-diazaspiro[3.4]octan-6-yl]methyl]amino]butanamide (PubChem CID 139374263) has the molecular formula C18H34N4O3 and a molecular weight of 354.50 g/mol. Its IUPAC name is (2S,3R)-3-hydroxy-N,N-dimethyl-2-[methyl-[[5-(2-methylpropyl)-3-oxo-2,5-diazaspiro[3.4]octan-6-yl]methyl]amino]butanamide.

Molecular Properties

Compound Name(2S,3R)-3-hydroxy-N,N-dimethyl-2-[methyl-[[5-(2-methylpropyl)-3-oxo-2,5-diazaspiro[3.4]octan-6-yl]methyl]amino]butanamide
PubChem CID139374263
Molecular FormulaC18H34N4O3
Molecular Weight354.50 g/mol
Exact Mass354.26
IUPAC Name(2S,3R)-3-hydroxy-N,N-dimethyl-2-[methyl-[[5-(2-methylpropyl)-3-oxo-2,5-diazaspiro[3.4]octan-6-yl]methyl]amino]butanamide
SMILESCC(C)CN1C(CN(C)[C@H](C(=O)N(C)C)[C@@H](C)O)CCC12CNC2=O
InChIInChI=1S/C18H34N4O3/c1-12(2)9-22-14(7-8-18(22)11-19-17(18)25)10-21(6)15(13(3)23)16(24)20(4)5/h12-15,23H,7-11H2,1-6H3,(H,19,25)/t13-,14?,15+,18?/m1/s1
InChIKeyNZMFHJDZOFEDPC-GBRKPNRJSA-N
XLogP-0.26
TPSA76.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-hydroxy-N,N-dimethyl-2-[methyl-[[5-(2-methylpropyl)-3-oxo-2,5-diazaspiro[3.4]octan-6-yl]methyl]amino]butanamide?
The IUPAC name of (2S,3R)-3-hydroxy-N,N-dimethyl-2-[methyl-[[5-(2-methylpropyl)-3-oxo-2,5-diazaspiro[3.4]octan-6-yl]methyl]amino]butanamide (CID 139374263) is (2S,3R)-3-hydroxy-N,N-dimethyl-2-[methyl-[[5-(2-methylpropyl)-3-oxo-2,5-diazaspiro[3.4]octan-6-yl]methyl]amino]butanamide.
What is the SMILES notation for (2S,3R)-3-hydroxy-N,N-dimethyl-2-[methyl-[[5-(2-methylpropyl)-3-oxo-2,5-diazaspiro[3.4]octan-6-yl]methyl]amino]butanamide?
The canonical SMILES for (2S,3R)-3-hydroxy-N,N-dimethyl-2-[methyl-[[5-(2-methylpropyl)-3-oxo-2,5-diazaspiro[3.4]octan-6-yl]methyl]amino]butanamide is CC(C)CN1C(CN(C)[C@H](C(=O)N(C)C)[C@@H](C)O)CCC12CNC2=O.
What is the InChIKey of (2S,3R)-3-hydroxy-N,N-dimethyl-2-[methyl-[[5-(2-methylpropyl)-3-oxo-2,5-diazaspiro[3.4]octan-6-yl]methyl]amino]butanamide?
The InChIKey is NZMFHJDZOFEDPC-GBRKPNRJSA-N. The full InChI is InChI=1S/C18H34N4O3/c1-12(2)9-22-14(7-8-18(22)11-19-17(18)25)10-21(6)15(13(3)23)16(24)20(4)5/h12-15,23H,7-11H2,1-6H3,(H,19,25)/t13-,14?,15+,18?/m1/s1.
What are the key properties of (2S,3R)-3-hydroxy-N,N-dimethyl-2-[methyl-[[5-(2-methylpropyl)-3-oxo-2,5-diazaspiro[3.4]octan-6-yl]methyl]amino]butanamide?
(2S,3R)-3-hydroxy-N,N-dimethyl-2-[methyl-[[5-(2-methylpropyl)-3-oxo-2,5-diazaspiro[3.4]octan-6-yl]methyl]amino]butanamide has a molecular weight of 354.50 g/mol, XLogP of -0.26, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-hydroxy-N,N-dimethyl-2-[methyl-[[5-(2-methylpropyl)-3-oxo-2,5-diazaspiro[3.4]octan-6-yl]methyl]amino]butanamide is sourced from PubChem (CID 139374263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).