(2S,3R)-5-oxo-3-phenyl-4-propan-2-yl-N-[3-(2H-tetrazol-5-yl)propyl]morpholine-2-carboxamide

C18H24N6O3 — CID 134705480

IUPAC(2S,3R)-5-oxo-3-phenyl-4-propan-2-yl-N-[3-(2H-tetrazol-5-yl)propyl]morpholine-2-carboxamide
SMILESCC(C)N1C(=O)CO[C@H](C(=O)NCCCc2nn[nH]n2)[C@H]1c1ccccc1
InChIInChI=1S/C18H24N6O3/c1-12(2)24-15(25)11-27-17(16(24)13-7-4-3-5-8-13)18(26)19-10-6-9-14-20-22-23-21-14/h3-5,7-8,12,16-17H,6,9-11H2,1-2H3,(H,19,26)(H,20,21,22,23)/t16-,17+/m1/s1
InChIKeyQAWFZFUPQLYDGK-SJORKVTESA-N
MW372.43 g/mol
LogP0.63
Rot. Bonds7

About (2S,3R)-5-oxo-3-phenyl-4-propan-2-yl-N-[3-(2H-tetrazol-5-yl)propyl]morpholine-2-carboxamide

(2S,3R)-5-oxo-3-phenyl-4-propan-2-yl-N-[3-(2H-tetrazol-5-yl)propyl]morpholine-2-carboxamide (PubChem CID 134705480) has the molecular formula C18H24N6O3 and a molecular weight of 372.43 g/mol. Its IUPAC name is (2S,3R)-5-oxo-3-phenyl-4-propan-2-yl-N-[3-(2H-tetrazol-5-yl)propyl]morpholine-2-carboxamide.

Molecular Properties

Compound Name(2S,3R)-5-oxo-3-phenyl-4-propan-2-yl-N-[3-(2H-tetrazol-5-yl)propyl]morpholine-2-carboxamide
PubChem CID134705480
Molecular FormulaC18H24N6O3
Molecular Weight372.43 g/mol
Exact Mass372.19
IUPAC Name(2S,3R)-5-oxo-3-phenyl-4-propan-2-yl-N-[3-(2H-tetrazol-5-yl)propyl]morpholine-2-carboxamide
SMILESCC(C)N1C(=O)CO[C@H](C(=O)NCCCc2nn[nH]n2)[C@H]1c1ccccc1
InChIInChI=1S/C18H24N6O3/c1-12(2)24-15(25)11-27-17(16(24)13-7-4-3-5-8-13)18(26)19-10-6-9-14-20-22-23-21-14/h3-5,7-8,12,16-17H,6,9-11H2,1-2H3,(H,19,26)(H,20,21,22,23)/t16-,17+/m1/s1
InChIKeyQAWFZFUPQLYDGK-SJORKVTESA-N
XLogP0.63
TPSA113.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-5-oxo-3-phenyl-4-propan-2-yl-N-[3-(2H-tetrazol-5-yl)propyl]morpholine-2-carboxamide?
The IUPAC name of (2S,3R)-5-oxo-3-phenyl-4-propan-2-yl-N-[3-(2H-tetrazol-5-yl)propyl]morpholine-2-carboxamide (CID 134705480) is (2S,3R)-5-oxo-3-phenyl-4-propan-2-yl-N-[3-(2H-tetrazol-5-yl)propyl]morpholine-2-carboxamide.
What is the SMILES notation for (2S,3R)-5-oxo-3-phenyl-4-propan-2-yl-N-[3-(2H-tetrazol-5-yl)propyl]morpholine-2-carboxamide?
The canonical SMILES for (2S,3R)-5-oxo-3-phenyl-4-propan-2-yl-N-[3-(2H-tetrazol-5-yl)propyl]morpholine-2-carboxamide is CC(C)N1C(=O)CO[C@H](C(=O)NCCCc2nn[nH]n2)[C@H]1c1ccccc1.
What is the InChIKey of (2S,3R)-5-oxo-3-phenyl-4-propan-2-yl-N-[3-(2H-tetrazol-5-yl)propyl]morpholine-2-carboxamide?
The InChIKey is QAWFZFUPQLYDGK-SJORKVTESA-N. The full InChI is InChI=1S/C18H24N6O3/c1-12(2)24-15(25)11-27-17(16(24)13-7-4-3-5-8-13)18(26)19-10-6-9-14-20-22-23-21-14/h3-5,7-8,12,16-17H,6,9-11H2,1-2H3,(H,19,26)(H,20,21,22,23)/t16-,17+/m1/s1.
What are the key properties of (2S,3R)-5-oxo-3-phenyl-4-propan-2-yl-N-[3-(2H-tetrazol-5-yl)propyl]morpholine-2-carboxamide?
(2S,3R)-5-oxo-3-phenyl-4-propan-2-yl-N-[3-(2H-tetrazol-5-yl)propyl]morpholine-2-carboxamide has a molecular weight of 372.43 g/mol, XLogP of 0.63, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-5-oxo-3-phenyl-4-propan-2-yl-N-[3-(2H-tetrazol-5-yl)propyl]morpholine-2-carboxamide is sourced from PubChem (CID 134705480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).