[(2R)-1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 2,4-dimethoxybenzoate

C20H23NO5 — CID 7726336

IUPAC[(2R)-1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 2,4-dimethoxybenzoate
SMILESCOc1ccc(C(=O)O[C@H](C)C(=O)N(C)Cc2ccccc2)c(OC)c1
InChIInChI=1S/C20H23NO5/c1-14(19(22)21(2)13-15-8-6-5-7-9-15)26-20(23)17-11-10-16(24-3)12-18(17)25-4/h5-12,14H,13H2,1-4H3/t14-/m1/s1
InChIKeyWHPUBKMAHGSTFZ-CQSZACIVSA-N
MW357.41 g/mol
LogP2.91
Rot. Bonds7

About [(2R)-1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 2,4-dimethoxybenzoate

[(2R)-1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 2,4-dimethoxybenzoate (PubChem CID 7726336) has the molecular formula C20H23NO5 and a molecular weight of 357.41 g/mol. Its IUPAC name is [(2R)-1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 2,4-dimethoxybenzoate.

Molecular Properties

Compound Name[(2R)-1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 2,4-dimethoxybenzoate
PubChem CID7726336
Molecular FormulaC20H23NO5
Molecular Weight357.41 g/mol
Exact Mass357.16
IUPAC Name[(2R)-1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 2,4-dimethoxybenzoate
SMILESCOc1ccc(C(=O)O[C@H](C)C(=O)N(C)Cc2ccccc2)c(OC)c1
InChIInChI=1S/C20H23NO5/c1-14(19(22)21(2)13-15-8-6-5-7-9-15)26-20(23)17-11-10-16(24-3)12-18(17)25-4/h5-12,14H,13H2,1-4H3/t14-/m1/s1
InChIKeyWHPUBKMAHGSTFZ-CQSZACIVSA-N
XLogP2.91
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S)-1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 1-hydroxynaphthalene-2-carboxylate
CID 7468162
4-O-[1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 1-O-methyl benzene-1,4-dicarboxylate
CID 42898779
[(2R)-1-[benzyl(tert-butyl)amino]-1-oxopropan-2-yl] 2-fluoro-4-methoxybenzoate
CID 8976367
N-benzyl-2-methoxy-N-methylpropanamide
CID 112685507
[(2R)-1-(dibenzylamino)-1-oxopropan-2-yl] 2-(2,4-dimethoxyphenyl)acetate
CID 31883866
(2S)-N-benzyl-2-(4-methoxy-2-nitrophenoxy)-N-methylpropanamide
CID 7695065
[(2S)-1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 3-phenoxybenzoate
CID 2123017
N-benzyl-2-(2,4-dimethoxyphenyl)-N-methylacetamide
CID 110767880
[1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 2-[(3-methoxybenzoyl)amino]acetate
CID 55320574
[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 2,4-dimethoxybenzoate
CID 2629772
[(2S)-1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl] 4,5-dimethoxy-2-nitrobenzoate
CID 8535836
[(2S)-1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 2,3,6-trichlorobenzoate
CID 7170411

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 2,4-dimethoxybenzoate?
The IUPAC name of [(2R)-1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 2,4-dimethoxybenzoate (CID 7726336) is [(2R)-1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 2,4-dimethoxybenzoate.
What is the SMILES notation for [(2R)-1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 2,4-dimethoxybenzoate?
The canonical SMILES for [(2R)-1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 2,4-dimethoxybenzoate is COc1ccc(C(=O)O[C@H](C)C(=O)N(C)Cc2ccccc2)c(OC)c1.
What is the InChIKey of [(2R)-1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 2,4-dimethoxybenzoate?
The InChIKey is WHPUBKMAHGSTFZ-CQSZACIVSA-N. The full InChI is InChI=1S/C20H23NO5/c1-14(19(22)21(2)13-15-8-6-5-7-9-15)26-20(23)17-11-10-16(24-3)12-18(17)25-4/h5-12,14H,13H2,1-4H3/t14-/m1/s1.
What are the key properties of [(2R)-1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 2,4-dimethoxybenzoate?
[(2R)-1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 2,4-dimethoxybenzoate has a molecular weight of 357.41 g/mol, XLogP of 2.91, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 2,4-dimethoxybenzoate is sourced from PubChem (CID 7726336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).