[2-[[(2R)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl] 4-(propan-2-yloxymethyl)benzoate

C23H27NO6 — CID 8644482

IUPAC[2-[[(2R)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl] 4-(propan-2-yloxymethyl)benzoate
SMILESCOC(=O)[C@@H](Cc1ccccc1)NC(=O)COC(=O)c1ccc(COC(C)C)cc1
InChIInChI=1S/C23H27NO6/c1-16(2)29-14-18-9-11-19(12-10-18)22(26)30-15-21(25)24-20(23(27)28-3)13-17-7-5-4-6-8-17/h4-12,16,20H,13-15H2,1-3H3,(H,24,25)/t20-/m1/s1
InChIKeyPVVBCVJUFWBXNE-HXUWFJFHSA-N
MW413.47 g/mol
LogP2.67
Rot. Bonds10

About [2-[[(2R)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl] 4-(propan-2-yloxymethyl)benzoate

[2-[[(2R)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl] 4-(propan-2-yloxymethyl)benzoate (PubChem CID 8644482) has the molecular formula C23H27NO6 and a molecular weight of 413.47 g/mol. Its IUPAC name is [2-[[(2R)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl] 4-(propan-2-yloxymethyl)benzoate.

Molecular Properties

Compound Name[2-[[(2R)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl] 4-(propan-2-yloxymethyl)benzoate
PubChem CID8644482
Molecular FormulaC23H27NO6
Molecular Weight413.47 g/mol
Exact Mass413.18
IUPAC Name[2-[[(2R)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl] 4-(propan-2-yloxymethyl)benzoate
SMILESCOC(=O)[C@@H](Cc1ccccc1)NC(=O)COC(=O)c1ccc(COC(C)C)cc1
InChIInChI=1S/C23H27NO6/c1-16(2)29-14-18-9-11-19(12-10-18)22(26)30-15-21(25)24-20(23(27)28-3)13-17-7-5-4-6-8-17/h4-12,16,20H,13-15H2,1-3H3,(H,24,25)/t20-/m1/s1
InChIKeyPVVBCVJUFWBXNE-HXUWFJFHSA-N
XLogP2.67
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.47
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-[[(2R)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl] 4-(propan-2-yloxymethyl)benzoate with MolForge

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Related Compounds

[2-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-2-oxoethyl] 4-methylbenzoate
CID 55397418
[2-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl] naphthalene-2-carboxylate
CID 9018457
[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 4-(propan-2-yloxymethyl)benzoate
CID 8985566
[2-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-2-oxoethyl] 3,5-dichlorobenzoate
CID 55397267
[2-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-2-oxoethyl] 4-bromo-3,5-dimethoxybenzoate
CID 55424458
[2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 4-methoxybenzoate
CID 7862103
[2-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-2-oxoethyl] 2,6-dimethoxybenzoate
CID 55397412
[2-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-2-oxoethyl] 4-(2-oxopiperidin-1-yl)benzoate
CID 55441558
[2-[[(2R)-1-methoxy-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl] benzoate
CID 9018914
methyl (2R)-2-[[2-[(2R)-2-benzamidopropanoyl]oxyacetyl]amino]-3-phenylpropanoate
CID 39968914
[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 4-phenoxybenzoate
CID 7838118
[2-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-2-oxoethyl] 4-methyl-3-pyrrol-1-ylbenzoate
CID 46694494

Frequently Asked Questions

What is the IUPAC name of [2-[[(2R)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl] 4-(propan-2-yloxymethyl)benzoate?
The IUPAC name of [2-[[(2R)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl] 4-(propan-2-yloxymethyl)benzoate (CID 8644482) is [2-[[(2R)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl] 4-(propan-2-yloxymethyl)benzoate.
What is the SMILES notation for [2-[[(2R)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl] 4-(propan-2-yloxymethyl)benzoate?
The canonical SMILES for [2-[[(2R)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl] 4-(propan-2-yloxymethyl)benzoate is COC(=O)[C@@H](Cc1ccccc1)NC(=O)COC(=O)c1ccc(COC(C)C)cc1.
What is the InChIKey of [2-[[(2R)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl] 4-(propan-2-yloxymethyl)benzoate?
The InChIKey is PVVBCVJUFWBXNE-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H27NO6/c1-16(2)29-14-18-9-11-19(12-10-18)22(26)30-15-21(25)24-20(23(27)28-3)13-17-7-5-4-6-8-17/h4-12,16,20H,13-15H2,1-3H3,(H,24,25)/t20-/m1/s1.
What are the key properties of [2-[[(2R)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl] 4-(propan-2-yloxymethyl)benzoate?
[2-[[(2R)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl] 4-(propan-2-yloxymethyl)benzoate has a molecular weight of 413.47 g/mol, XLogP of 2.67, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(2R)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl] 4-(propan-2-yloxymethyl)benzoate is sourced from PubChem (CID 8644482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).