(1-oxo-3-phenyl-1-phenylmethoxypropan-2-yl) 4-methyl-2-(methylamino)pentanoate

C23H29NO4 — CID 85383301

IUPAC(1-oxo-3-phenyl-1-phenylmethoxypropan-2-yl) 4-methyl-2-(methylamino)pentanoate
SMILESCNC(CC(C)C)C(=O)OC(Cc1ccccc1)C(=O)OCc1ccccc1
InChIInChI=1S/C23H29NO4/c1-17(2)14-20(24-3)22(25)28-21(15-18-10-6-4-7-11-18)23(26)27-16-19-12-8-5-9-13-19/h4-13,17,20-21,24H,14-16H2,1-3H3
InChIKeyRJEVSXGJHXDSGE-UHFFFAOYSA-N
MW383.49 g/mol
LogP3.52
Rot. Bonds10

About (1-oxo-3-phenyl-1-phenylmethoxypropan-2-yl) 4-methyl-2-(methylamino)pentanoate

(1-oxo-3-phenyl-1-phenylmethoxypropan-2-yl) 4-methyl-2-(methylamino)pentanoate (PubChem CID 85383301) has the molecular formula C23H29NO4 and a molecular weight of 383.49 g/mol. Its IUPAC name is (1-oxo-3-phenyl-1-phenylmethoxypropan-2-yl) 4-methyl-2-(methylamino)pentanoate.

Molecular Properties

Compound Name(1-oxo-3-phenyl-1-phenylmethoxypropan-2-yl) 4-methyl-2-(methylamino)pentanoate
PubChem CID85383301
Molecular FormulaC23H29NO4
Molecular Weight383.49 g/mol
Exact Mass383.21
IUPAC Name(1-oxo-3-phenyl-1-phenylmethoxypropan-2-yl) 4-methyl-2-(methylamino)pentanoate
SMILESCNC(CC(C)C)C(=O)OC(Cc1ccccc1)C(=O)OCc1ccccc1
InChIInChI=1S/C23H29NO4/c1-17(2)14-20(24-3)22(25)28-21(15-18-10-6-4-7-11-18)23(26)27-16-19-12-8-5-9-13-19/h4-13,17,20-21,24H,14-16H2,1-3H3
InChIKeyRJEVSXGJHXDSGE-UHFFFAOYSA-N
XLogP3.52
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]oxy-3-phenylpropanoic acid
CID 53360606
benzyl (2R)-4-methyl-2-[[(2R)-2-(methylamino)propanoyl]amino]pentanoate
CID 59779081
benzyl (2S)-4-methyl-2-[[(2S)-4-methyl-1-oxo-1-phenylmethoxypentan-2-yl]carbamoylamino]pentanoate
CID 14842513
propan-2-yl (2S)-2-(methylamino)-3-phenylpropanoate
CID 54240932
benzyl (2R)-4-methyl-2-[[(2S)-4-methyl-2-[(2S)-2-[(2R)-2-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]butanoyl]oxy-3-phenylpropanoyl]oxypentanoyl]amino]pentanoate
CID 10700542
benzyl 2-(ethylamino)-4-methylpentanoate
CID 142463414
benzyl (2S)-3-methyl-2-[methyl-[(2S)-4-methyl-2-(methylamino)pentanoyl]amino]butanoate
CID 46193688
(2S)-4-methyl-2-[(2-methyl-3-oxo-3-phenylmethoxypropyl)amino]pentanoic acid
CID 18661239
benzyl (2S)-2-[methyl-[methyl(2-methylpropoxycarbonyl)amino]carbamoyl]oxy-3-phenylpropanoate
CID 18639004
(2R)-2-[(2S)-2-[[(2R)-3-(4-tert-butylphenyl)-2-[(2S)-2-[[(2R)-2-[(2S)-2-[[(2R)-3-(4-tert-butylphenyl)-2-[(2S)-4-methyl-2-(methylamino)pentanoyl]oxypropanoyl]-methylamino]-4-fluoro-4-methylpentanoyl]oxypropanoyl]-methylamino]-4-methylpentanoyl]oxypropanoyl]-methylamino]-4-fluoro-4-methylpentanoyl]oxypropanoic acid;[(2R)-1-[[(2S)-1-[(2R)-3-(4-tert-butylphenyl)-1-[[(2S)-4-fluoro-4-methyl-1-oxo-1-[(2R)-1-oxo-1-phenylmethoxypropan-2-yl]oxypentan-2-yl]-methylamino]-1-oxopropan-2-yl]oxy-4-methyl-1-oxopentan-2-yl]-methylamino]-1-oxopropan-2-yl] (2S)-2-[[(2R)-3-(4-tert-butylphenyl)-2-[(2S)-4-methyl-2-(methylamino)pentanoyl]oxypropanoyl]-methylamino]-4-fluoro-4-methylpentanoate
CID 159465034
4-methyl-2-phenylmethoxycarbonylpentanoic acid
CID 54223940
(2S)-4-methyl-2-[[(2R)-3-methyl-1-oxo-1-phenylmethoxybutan-2-yl]amino]pentanoic acid
CID 10064687

Frequently Asked Questions

What is the IUPAC name of (1-oxo-3-phenyl-1-phenylmethoxypropan-2-yl) 4-methyl-2-(methylamino)pentanoate?
The IUPAC name of (1-oxo-3-phenyl-1-phenylmethoxypropan-2-yl) 4-methyl-2-(methylamino)pentanoate (CID 85383301) is (1-oxo-3-phenyl-1-phenylmethoxypropan-2-yl) 4-methyl-2-(methylamino)pentanoate.
What is the SMILES notation for (1-oxo-3-phenyl-1-phenylmethoxypropan-2-yl) 4-methyl-2-(methylamino)pentanoate?
The canonical SMILES for (1-oxo-3-phenyl-1-phenylmethoxypropan-2-yl) 4-methyl-2-(methylamino)pentanoate is CNC(CC(C)C)C(=O)OC(Cc1ccccc1)C(=O)OCc1ccccc1.
What is the InChIKey of (1-oxo-3-phenyl-1-phenylmethoxypropan-2-yl) 4-methyl-2-(methylamino)pentanoate?
The InChIKey is RJEVSXGJHXDSGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO4/c1-17(2)14-20(24-3)22(25)28-21(15-18-10-6-4-7-11-18)23(26)27-16-19-12-8-5-9-13-19/h4-13,17,20-21,24H,14-16H2,1-3H3.
What are the key properties of (1-oxo-3-phenyl-1-phenylmethoxypropan-2-yl) 4-methyl-2-(methylamino)pentanoate?
(1-oxo-3-phenyl-1-phenylmethoxypropan-2-yl) 4-methyl-2-(methylamino)pentanoate has a molecular weight of 383.49 g/mol, XLogP of 3.52, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-oxo-3-phenyl-1-phenylmethoxypropan-2-yl) 4-methyl-2-(methylamino)pentanoate is sourced from PubChem (CID 85383301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).