[(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] (2S)-2-phenoxypropanoate

C19H21NO4 — CID 7833485

IUPAC[(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] (2S)-2-phenoxypropanoate
SMILESCc1ccc(NC(=O)[C@@H](C)OC(=O)[C@H](C)Oc2ccccc2)cc1
InChIInChI=1S/C19H21NO4/c1-13-9-11-16(12-10-13)20-18(21)14(2)24-19(22)15(3)23-17-7-5-4-6-8-17/h4-12,14-15H,1-3H3,(H,20,21)/t14-,15+/m1/s1
InChIKeyVLYYWZCSFBKCJK-CABCVRRESA-N
MW327.38 g/mol
LogP3.33
Rot. Bonds6

About [(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] (2S)-2-phenoxypropanoate

[(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] (2S)-2-phenoxypropanoate (PubChem CID 7833485) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is [(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] (2S)-2-phenoxypropanoate.

Molecular Properties

Compound Name[(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] (2S)-2-phenoxypropanoate
PubChem CID7833485
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name[(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] (2S)-2-phenoxypropanoate
SMILESCc1ccc(NC(=O)[C@@H](C)OC(=O)[C@H](C)Oc2ccccc2)cc1
InChIInChI=1S/C19H21NO4/c1-13-9-11-16(12-10-13)20-18(21)14(2)24-19(22)15(3)23-17-7-5-4-6-8-17/h4-12,14-15H,1-3H3,(H,20,21)/t14-,15+/m1/s1
InChIKeyVLYYWZCSFBKCJK-CABCVRRESA-N
XLogP3.33
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methylphenyl)-2-phenoxypropanamide
CID 4639701
[(2S)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] (2R)-2-phenoxypropanoate
CID 7833590
[(2R)-1-(4-cyanoanilino)-1-oxopropan-2-yl] (2R)-2-phenoxypropanoate
CID 8791202
N-(4-acetamidophenyl)-2-phenoxypropanamide
CID 2897872
[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] (2R)-2-(3-methylphenoxy)propanoate
CID 2397766
(2R)-N-(4-benzoylphenyl)-2-(4-methylphenoxy)propanamide
CID 1019881
2-methyl-N-[4-[[(2S)-2-phenoxypropanoyl]amino]phenyl]propanamide
CID 40976571
[(2R)-1-(4-ethoxyanilino)-1-oxopropan-2-yl] (2S)-2-(3-methylphenoxy)propanoate
CID 8737849
[1-(2-acetylanilino)-1-oxopropan-2-yl] 2-(4-methylphenoxy)propanoate
CID 16567139
4-[[(2S)-2-phenoxypropanoyl]amino]benzoic acid
CID 1365740
[1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl] 2-(4-methylphenoxy)propanoate
CID 46622069
[(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] (2S)-2-(1,3-dioxoisoindol-2-yl)propanoate
CID 2596961

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] (2S)-2-phenoxypropanoate?
The IUPAC name of [(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] (2S)-2-phenoxypropanoate (CID 7833485) is [(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] (2S)-2-phenoxypropanoate.
What is the SMILES notation for [(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] (2S)-2-phenoxypropanoate?
The canonical SMILES for [(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] (2S)-2-phenoxypropanoate is Cc1ccc(NC(=O)[C@@H](C)OC(=O)[C@H](C)Oc2ccccc2)cc1.
What is the InChIKey of [(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] (2S)-2-phenoxypropanoate?
The InChIKey is VLYYWZCSFBKCJK-CABCVRRESA-N. The full InChI is InChI=1S/C19H21NO4/c1-13-9-11-16(12-10-13)20-18(21)14(2)24-19(22)15(3)23-17-7-5-4-6-8-17/h4-12,14-15H,1-3H3,(H,20,21)/t14-,15+/m1/s1.
What are the key properties of [(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] (2S)-2-phenoxypropanoate?
[(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] (2S)-2-phenoxypropanoate has a molecular weight of 327.38 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] (2S)-2-phenoxypropanoate is sourced from PubChem (CID 7833485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).