[(2S)-1-anilino-1-oxopropan-2-yl] 3-methoxy-4-phenylmethoxybenzoate

C24H23NO5 — CID 7196707

IUPAC[(2S)-1-anilino-1-oxopropan-2-yl] 3-methoxy-4-phenylmethoxybenzoate
SMILESCOc1cc(C(=O)O[C@@H](C)C(=O)Nc2ccccc2)ccc1OCc1ccccc1
InChIInChI=1S/C24H23NO5/c1-17(23(26)25-20-11-7-4-8-12-20)30-24(27)19-13-14-21(22(15-19)28-2)29-16-18-9-5-3-6-10-18/h3-15,17H,16H2,1-2H3,(H,25,26)/t17-/m0/s1
InChIKeyBTBUTGFSLPBAJL-KRWDZBQOSA-N
MW405.45 g/mol
LogP4.46
Rot. Bonds8

About [(2S)-1-anilino-1-oxopropan-2-yl] 3-methoxy-4-phenylmethoxybenzoate

[(2S)-1-anilino-1-oxopropan-2-yl] 3-methoxy-4-phenylmethoxybenzoate (PubChem CID 7196707) has the molecular formula C24H23NO5 and a molecular weight of 405.45 g/mol. Its IUPAC name is [(2S)-1-anilino-1-oxopropan-2-yl] 3-methoxy-4-phenylmethoxybenzoate.

Molecular Properties

Compound Name[(2S)-1-anilino-1-oxopropan-2-yl] 3-methoxy-4-phenylmethoxybenzoate
PubChem CID7196707
Molecular FormulaC24H23NO5
Molecular Weight405.45 g/mol
Exact Mass405.16
IUPAC Name[(2S)-1-anilino-1-oxopropan-2-yl] 3-methoxy-4-phenylmethoxybenzoate
SMILESCOc1cc(C(=O)O[C@@H](C)C(=O)Nc2ccccc2)ccc1OCc1ccccc1
InChIInChI=1S/C24H23NO5/c1-17(23(26)25-20-11-7-4-8-12-20)30-24(27)19-13-14-21(22(15-19)28-2)29-16-18-9-5-3-6-10-18/h3-15,17H,16H2,1-2H3,(H,25,26)/t17-/m0/s1
InChIKeyBTBUTGFSLPBAJL-KRWDZBQOSA-N
XLogP4.46
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(benzylamino)-1-oxopropan-2-yl] 3-methoxy-4-phenylmethoxybenzoate
CID 42969297
[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 3-methoxy-4-phenylmethoxybenzoate
CID 7196740
[1-(2,5-difluoroanilino)-1-oxopropan-2-yl] 3-methoxy-4-phenylmethoxybenzoate
CID 46617876
[1-[(3,4-dimethoxyphenyl)methylamino]-1-oxopropan-2-yl] 3-methoxy-4-phenylmethoxybenzoate
CID 55419475
[(2S)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl] 4-methoxybenzoate
CID 7872698
[(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl] 4-ethoxy-3-methoxybenzoate
CID 7416046
[(2R)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 3-methoxy-4-phenylmethoxybenzoate
CID 7196715
3-methoxy-N-phenyl-4-phenylmethoxybenzamide
CID 5161412
[(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 3,4-dimethoxybenzoate
CID 2099281
butan-2-yl 3-methoxy-4-phenylmethoxybenzoate
CID 82186247
(2-anilino-2-oxoethyl) 3-methoxy-4-phenylmethoxybenzoate
CID 7196850
[(2R)-1-anilino-1-oxopropan-2-yl] 3-(methoxymethyl)benzoate
CID 9065135

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-anilino-1-oxopropan-2-yl] 3-methoxy-4-phenylmethoxybenzoate?
The IUPAC name of [(2S)-1-anilino-1-oxopropan-2-yl] 3-methoxy-4-phenylmethoxybenzoate (CID 7196707) is [(2S)-1-anilino-1-oxopropan-2-yl] 3-methoxy-4-phenylmethoxybenzoate.
What is the SMILES notation for [(2S)-1-anilino-1-oxopropan-2-yl] 3-methoxy-4-phenylmethoxybenzoate?
The canonical SMILES for [(2S)-1-anilino-1-oxopropan-2-yl] 3-methoxy-4-phenylmethoxybenzoate is COc1cc(C(=O)O[C@@H](C)C(=O)Nc2ccccc2)ccc1OCc1ccccc1.
What is the InChIKey of [(2S)-1-anilino-1-oxopropan-2-yl] 3-methoxy-4-phenylmethoxybenzoate?
The InChIKey is BTBUTGFSLPBAJL-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H23NO5/c1-17(23(26)25-20-11-7-4-8-12-20)30-24(27)19-13-14-21(22(15-19)28-2)29-16-18-9-5-3-6-10-18/h3-15,17H,16H2,1-2H3,(H,25,26)/t17-/m0/s1.
What are the key properties of [(2S)-1-anilino-1-oxopropan-2-yl] 3-methoxy-4-phenylmethoxybenzoate?
[(2S)-1-anilino-1-oxopropan-2-yl] 3-methoxy-4-phenylmethoxybenzoate has a molecular weight of 405.45 g/mol, XLogP of 4.46, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-anilino-1-oxopropan-2-yl] 3-methoxy-4-phenylmethoxybenzoate is sourced from PubChem (CID 7196707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).