methyl 4-[(2R)-1-(benzylamino)-1-oxopropan-2-yl]oxy-3-methoxybenzoate

C19H21NO5 — CID 92752909

IUPACmethyl 4-[(2R)-1-(benzylamino)-1-oxopropan-2-yl]oxy-3-methoxybenzoate
SMILESCOC(=O)c1ccc(O[C@H](C)C(=O)NCc2ccccc2)c(OC)c1
InChIInChI=1S/C19H21NO5/c1-13(18(21)20-12-14-7-5-4-6-8-14)25-16-10-9-15(19(22)24-3)11-17(16)23-2/h4-11,13H,12H2,1-3H3,(H,20,21)/t13-/m1/s1
InChIKeyNDAZATBTBAZLCW-CYBMUJFWSA-N
MW343.38 g/mol
LogP2.57
Rot. Bonds7

About methyl 4-[(2R)-1-(benzylamino)-1-oxopropan-2-yl]oxy-3-methoxybenzoate

methyl 4-[(2R)-1-(benzylamino)-1-oxopropan-2-yl]oxy-3-methoxybenzoate (PubChem CID 92752909) has the molecular formula C19H21NO5 and a molecular weight of 343.38 g/mol. Its IUPAC name is methyl 4-[(2R)-1-(benzylamino)-1-oxopropan-2-yl]oxy-3-methoxybenzoate.

Molecular Properties

Compound Namemethyl 4-[(2R)-1-(benzylamino)-1-oxopropan-2-yl]oxy-3-methoxybenzoate
PubChem CID92752909
Molecular FormulaC19H21NO5
Molecular Weight343.38 g/mol
Exact Mass343.14
IUPAC Namemethyl 4-[(2R)-1-(benzylamino)-1-oxopropan-2-yl]oxy-3-methoxybenzoate
SMILESCOC(=O)c1ccc(O[C@H](C)C(=O)NCc2ccccc2)c(OC)c1
InChIInChI=1S/C19H21NO5/c1-13(18(21)20-12-14-7-5-4-6-8-14)25-16-10-9-15(19(22)24-3)11-17(16)23-2/h4-11,13H,12H2,1-3H3,(H,20,21)/t13-/m1/s1
InChIKeyNDAZATBTBAZLCW-CYBMUJFWSA-N
XLogP2.57
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 4-[(2R)-1-(benzylamino)-1-oxopropan-2-yl]oxy-3-methoxybenzoate with MolForge

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Related Compounds

[1-(benzylamino)-1-oxopropan-2-yl] 3-methoxy-4-phenylmethoxybenzoate
CID 42969297
[1-(benzylamino)-1-oxopropan-2-yl] 3-methoxy-4-(3-methylbutoxy)benzoate
CID 16501487
(2R)-N-benzyl-2-(4-cyano-2-methoxyphenoxy)propanamide
CID 7681327
[1-[(3,4-dimethoxyphenyl)methylamino]-1-oxopropan-2-yl] 3-methoxy-4-phenylmethoxybenzoate
CID 55419475
[(2S)-1-(benzylamino)-1-oxopropan-2-yl] 3,4,5-trimethoxybenzoate
CID 8013279
N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-phenoxypropanamide
CID 132652449
[(2S)-1-(benzylamino)-1-oxopropan-2-yl] 4-methoxy-3-nitrobenzoate
CID 7785850
methyl 3-methoxy-4-[(1S)-1-phenylethoxy]benzoate
CID 121407788
[(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 4-(difluoromethoxy)-3-methoxybenzoate
CID 7284268
methyl 4-[(2S)-1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl]oxy-3-methoxybenzoate
CID 8729040
(2S)-N-benzyl-2-cyano-3-(3,4-dimethoxyphenyl)-3-oxopropanamide
CID 98449932
N,N-dimethylmethanamine;methyl 3-methoxy-4-phenylmethoxybenzoate
CID 145103744

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2R)-1-(benzylamino)-1-oxopropan-2-yl]oxy-3-methoxybenzoate?
The IUPAC name of methyl 4-[(2R)-1-(benzylamino)-1-oxopropan-2-yl]oxy-3-methoxybenzoate (CID 92752909) is methyl 4-[(2R)-1-(benzylamino)-1-oxopropan-2-yl]oxy-3-methoxybenzoate.
What is the SMILES notation for methyl 4-[(2R)-1-(benzylamino)-1-oxopropan-2-yl]oxy-3-methoxybenzoate?
The canonical SMILES for methyl 4-[(2R)-1-(benzylamino)-1-oxopropan-2-yl]oxy-3-methoxybenzoate is COC(=O)c1ccc(O[C@H](C)C(=O)NCc2ccccc2)c(OC)c1.
What is the InChIKey of methyl 4-[(2R)-1-(benzylamino)-1-oxopropan-2-yl]oxy-3-methoxybenzoate?
The InChIKey is NDAZATBTBAZLCW-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H21NO5/c1-13(18(21)20-12-14-7-5-4-6-8-14)25-16-10-9-15(19(22)24-3)11-17(16)23-2/h4-11,13H,12H2,1-3H3,(H,20,21)/t13-/m1/s1.
What are the key properties of methyl 4-[(2R)-1-(benzylamino)-1-oxopropan-2-yl]oxy-3-methoxybenzoate?
methyl 4-[(2R)-1-(benzylamino)-1-oxopropan-2-yl]oxy-3-methoxybenzoate has a molecular weight of 343.38 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2R)-1-(benzylamino)-1-oxopropan-2-yl]oxy-3-methoxybenzoate is sourced from PubChem (CID 92752909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).