[(2S)-1-oxo-3-phenyl-1-phenylmethoxypropan-2-yl] 2-(2-methylpropanoyl)diazinane-1-carboxylate

C25H30N2O5 — CID 18638949

IUPAC[(2S)-1-oxo-3-phenyl-1-phenylmethoxypropan-2-yl] 2-(2-methylpropanoyl)diazinane-1-carboxylate
SMILESCC(C)C(=O)N1CCCCN1C(=O)O[C@@H](Cc1ccccc1)C(=O)OCc1ccccc1
InChIInChI=1S/C25H30N2O5/c1-19(2)23(28)26-15-9-10-16-27(26)25(30)32-22(17-20-11-5-3-6-12-20)24(29)31-18-21-13-7-4-8-14-21/h3-8,11-14,19,22H,9-10,15-18H2,1-2H3/t22-/m0/s1
InChIKeyWOOUHJSZCQYKGE-QFIPXVFZSA-N
MW438.52 g/mol
LogP3.97
Rot. Bonds7

About [(2S)-1-oxo-3-phenyl-1-phenylmethoxypropan-2-yl] 2-(2-methylpropanoyl)diazinane-1-carboxylate

[(2S)-1-oxo-3-phenyl-1-phenylmethoxypropan-2-yl] 2-(2-methylpropanoyl)diazinane-1-carboxylate (PubChem CID 18638949) has the molecular formula C25H30N2O5 and a molecular weight of 438.52 g/mol. Its IUPAC name is [(2S)-1-oxo-3-phenyl-1-phenylmethoxypropan-2-yl] 2-(2-methylpropanoyl)diazinane-1-carboxylate.

Molecular Properties

Compound Name[(2S)-1-oxo-3-phenyl-1-phenylmethoxypropan-2-yl] 2-(2-methylpropanoyl)diazinane-1-carboxylate
PubChem CID18638949
Molecular FormulaC25H30N2O5
Molecular Weight438.52 g/mol
Exact Mass438.22
IUPAC Name[(2S)-1-oxo-3-phenyl-1-phenylmethoxypropan-2-yl] 2-(2-methylpropanoyl)diazinane-1-carboxylate
SMILESCC(C)C(=O)N1CCCCN1C(=O)O[C@@H](Cc1ccccc1)C(=O)OCc1ccccc1
InChIInChI=1S/C25H30N2O5/c1-19(2)23(28)26-15-9-10-16-27(26)25(30)32-22(17-20-11-5-3-6-12-20)24(29)31-18-21-13-7-4-8-14-21/h3-8,11-14,19,22H,9-10,15-18H2,1-2H3/t22-/m0/s1
InChIKeyWOOUHJSZCQYKGE-QFIPXVFZSA-N
XLogP3.97
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.52
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-(2-acetyldiazinane-1-carbonyl)oxy-3-phenylpropanoic acid
CID 18638843
2-[2-(3-methyl-2-oxobutanoyl)pyrazolidine-1-carbonyl]oxy-3-phenylpropanoic acid
CID 19753824
[(2S)-1-oxo-3-phenyl-1-phenylmethoxypropan-2-yl] 2-oxo-1,3-oxazolidine-3-carboxylate
CID 18638958
2-[2-[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]pyrazolidine-1-carbonyl]oxy-3-phenylpropanoic acid
CID 57136439
benzyl 3-(azocan-1-yl)-2-methylpropanoate
CID 106484232
benzyl (2S)-2-[methyl-[2-[methyl(thiomorpholine-4-carbonyl)amino]ethyl]carbamoyl]oxy-3-phenylpropanoate
CID 57107304
(1-oxo-3-phenyl-1-phenylmethoxypropan-2-yl) 4-methyl-2-(methylamino)pentanoate
CID 85383301
benzyl (2S)-2-(dibenzylcarbamoyloxy)-3-phenylpropanoate
CID 54215648
benzyl 2-cyanopyrazolidine-1-carboxylate
CID 11564880
[(2R)-3-(3,5-dimethyl-4-phenylmethoxyphenyl)-1-methoxy-1-oxopropan-2-yl] piperidine-1-carboxylate
CID 141152240
benzyl (2S)-2-[methyl-[methyl(2-methylpropoxycarbonyl)amino]carbamoyl]oxy-3-phenylpropanoate
CID 18639004
benzyl (2S)-2-[methyl-[3-[methyl(morpholine-4-carbonyl)amino]propyl]carbamoyl]oxy-3-phenylpropanoate
CID 18639020

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-oxo-3-phenyl-1-phenylmethoxypropan-2-yl] 2-(2-methylpropanoyl)diazinane-1-carboxylate?
The IUPAC name of [(2S)-1-oxo-3-phenyl-1-phenylmethoxypropan-2-yl] 2-(2-methylpropanoyl)diazinane-1-carboxylate (CID 18638949) is [(2S)-1-oxo-3-phenyl-1-phenylmethoxypropan-2-yl] 2-(2-methylpropanoyl)diazinane-1-carboxylate.
What is the SMILES notation for [(2S)-1-oxo-3-phenyl-1-phenylmethoxypropan-2-yl] 2-(2-methylpropanoyl)diazinane-1-carboxylate?
The canonical SMILES for [(2S)-1-oxo-3-phenyl-1-phenylmethoxypropan-2-yl] 2-(2-methylpropanoyl)diazinane-1-carboxylate is CC(C)C(=O)N1CCCCN1C(=O)O[C@@H](Cc1ccccc1)C(=O)OCc1ccccc1.
What is the InChIKey of [(2S)-1-oxo-3-phenyl-1-phenylmethoxypropan-2-yl] 2-(2-methylpropanoyl)diazinane-1-carboxylate?
The InChIKey is WOOUHJSZCQYKGE-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H30N2O5/c1-19(2)23(28)26-15-9-10-16-27(26)25(30)32-22(17-20-11-5-3-6-12-20)24(29)31-18-21-13-7-4-8-14-21/h3-8,11-14,19,22H,9-10,15-18H2,1-2H3/t22-/m0/s1.
What are the key properties of [(2S)-1-oxo-3-phenyl-1-phenylmethoxypropan-2-yl] 2-(2-methylpropanoyl)diazinane-1-carboxylate?
[(2S)-1-oxo-3-phenyl-1-phenylmethoxypropan-2-yl] 2-(2-methylpropanoyl)diazinane-1-carboxylate has a molecular weight of 438.52 g/mol, XLogP of 3.97, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-oxo-3-phenyl-1-phenylmethoxypropan-2-yl] 2-(2-methylpropanoyl)diazinane-1-carboxylate is sourced from PubChem (CID 18638949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).