[(2R)-2-benzamido-3-methoxy-3-oxopropyl] benzoate

C18H17NO5 — CID 86334795

IUPAC[(2R)-2-benzamido-3-methoxy-3-oxopropyl] benzoate
SMILESCOC(=O)[C@@H](COC(=O)c1ccccc1)NC(=O)c1ccccc1
InChIInChI=1S/C18H17NO5/c1-23-18(22)15(19-16(20)13-8-4-2-5-9-13)12-24-17(21)14-10-6-3-7-11-14/h2-11,15H,12H2,1H3,(H,19,20)/t15-/m1/s1
InChIKeyMDDRCWVRHYLORR-OAHLLOKOSA-N
MW327.34 g/mol
LogP1.82
Rot. Bonds6

About [(2R)-2-benzamido-3-methoxy-3-oxopropyl] benzoate

[(2R)-2-benzamido-3-methoxy-3-oxopropyl] benzoate (PubChem CID 86334795) has the molecular formula C18H17NO5 and a molecular weight of 327.34 g/mol. Its IUPAC name is [(2R)-2-benzamido-3-methoxy-3-oxopropyl] benzoate.

Molecular Properties

Compound Name[(2R)-2-benzamido-3-methoxy-3-oxopropyl] benzoate
PubChem CID86334795
Molecular FormulaC18H17NO5
Molecular Weight327.34 g/mol
Exact Mass327.11
IUPAC Name[(2R)-2-benzamido-3-methoxy-3-oxopropyl] benzoate
SMILESCOC(=O)[C@@H](COC(=O)c1ccccc1)NC(=O)c1ccccc1
InChIInChI=1S/C18H17NO5/c1-23-18(22)15(19-16(20)13-8-4-2-5-9-13)12-24-17(21)14-10-6-3-7-11-14/h2-11,15H,12H2,1H3,(H,19,20)/t15-/m1/s1
InChIKeyMDDRCWVRHYLORR-OAHLLOKOSA-N
XLogP1.82
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-3-benzamido-4-methoxy-4-oxobutanoic acid
CID 124500287
[3-methoxy-2-[(3-methylbenzoyl)amino]-3-oxopropyl] 3-methylbenzoate
CID 531437
methyl (2S)-2-benzamido-3-phenylmethoxypropanoate
CID 10870709
methyl 4-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)carbamoyl]benzoate
CID 17178335
methyl 2-benzamido-4-methylpent-4-enoate
CID 14493675
methyl (2S,4S)-2,4,5-tribenzamidopentanoate
CID 14566783
(2S)-2-benzamido-3-methoxypropanoic acid
CID 54400188
methyl (2S)-2-benzamido-3-(trifluoromethylsulfonyl)propanoate
CID 101227983
methyl (2S)-3-[(2-amino-2-oxoethyl)disulfanyl]-2-benzamidopropanoate
CID 132564669
methyl (2S)-2-benzamido-3-(2,6-dibromophenyl)propanoate
CID 162524147
3-benzamidobutyl benzoate
CID 151154190
methyl (2S)-2-benzamidopropanoate
CID 6364617

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-benzamido-3-methoxy-3-oxopropyl] benzoate?
The IUPAC name of [(2R)-2-benzamido-3-methoxy-3-oxopropyl] benzoate (CID 86334795) is [(2R)-2-benzamido-3-methoxy-3-oxopropyl] benzoate.
What is the SMILES notation for [(2R)-2-benzamido-3-methoxy-3-oxopropyl] benzoate?
The canonical SMILES for [(2R)-2-benzamido-3-methoxy-3-oxopropyl] benzoate is COC(=O)[C@@H](COC(=O)c1ccccc1)NC(=O)c1ccccc1.
What is the InChIKey of [(2R)-2-benzamido-3-methoxy-3-oxopropyl] benzoate?
The InChIKey is MDDRCWVRHYLORR-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H17NO5/c1-23-18(22)15(19-16(20)13-8-4-2-5-9-13)12-24-17(21)14-10-6-3-7-11-14/h2-11,15H,12H2,1H3,(H,19,20)/t15-/m1/s1.
What are the key properties of [(2R)-2-benzamido-3-methoxy-3-oxopropyl] benzoate?
[(2R)-2-benzamido-3-methoxy-3-oxopropyl] benzoate has a molecular weight of 327.34 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-benzamido-3-methoxy-3-oxopropyl] benzoate is sourced from PubChem (CID 86334795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).