[(2R)-1-(3-methylanilino)-1-oxopropan-2-yl] 2-phenylacetate

C18H19NO3 — CID 7874773

IUPAC[(2R)-1-(3-methylanilino)-1-oxopropan-2-yl] 2-phenylacetate
SMILESCc1cccc(NC(=O)[C@@H](C)OC(=O)Cc2ccccc2)c1
InChIInChI=1S/C18H19NO3/c1-13-7-6-10-16(11-13)19-18(21)14(2)22-17(20)12-15-8-4-3-5-9-15/h3-11,14H,12H2,1-2H3,(H,19,21)/t14-/m1/s1
InChIKeyDQTXJXJYDGOWFK-CQSZACIVSA-N
MW297.35 g/mol
LogP3.11
Rot. Bonds5

About [(2R)-1-(3-methylanilino)-1-oxopropan-2-yl] 2-phenylacetate

[(2R)-1-(3-methylanilino)-1-oxopropan-2-yl] 2-phenylacetate (PubChem CID 7874773) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is [(2R)-1-(3-methylanilino)-1-oxopropan-2-yl] 2-phenylacetate.

Molecular Properties

Compound Name[(2R)-1-(3-methylanilino)-1-oxopropan-2-yl] 2-phenylacetate
PubChem CID7874773
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name[(2R)-1-(3-methylanilino)-1-oxopropan-2-yl] 2-phenylacetate
SMILESCc1cccc(NC(=O)[C@@H](C)OC(=O)Cc2ccccc2)c1
InChIInChI=1S/C18H19NO3/c1-13-7-6-10-16(11-13)19-18(21)14(2)22-17(20)12-15-8-4-3-5-9-15/h3-11,14H,12H2,1-2H3,(H,19,21)/t14-/m1/s1
InChIKeyDQTXJXJYDGOWFK-CQSZACIVSA-N
XLogP3.11
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R)-1-(3-methylanilino)-1-oxopropan-2-yl] 2-(2,6-dichlorophenyl)acetate
CID 7767207
[(2S)-1-anilino-1-oxopropan-2-yl] 2-(3-fluorophenyl)acetate
CID 8590345
[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-phenylacetate
CID 7874804
[(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] 2-phenylacetate
CID 7874733
[(2S)-1-(3-methylanilino)-1-oxopropan-2-yl] (2S)-2-(carbamoylamino)-3-phenylpropanoate
CID 8937831
[(2S)-1-(3-methylanilino)-1-oxopropan-2-yl] 2-(1,2-benzoxazol-3-yl)acetate
CID 8984347
[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 2-(4-acetamidophenyl)acetate
CID 8609563
[(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl] 2-phenylacetate
CID 7874730
[(2R)-1-(3-methylanilino)-1-oxopropan-2-yl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate
CID 8573808
(2S)-3-methyl-N-(3-methylphenyl)-2-[(2-phenylacetyl)amino]butanamide
CID 9038834
[(2S)-1-(4-cyanoanilino)-1-oxopropan-2-yl] 2-phenylacetate
CID 7874817
[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 2-(4-chlorophenyl)acetate
CID 7750150

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(3-methylanilino)-1-oxopropan-2-yl] 2-phenylacetate?
The IUPAC name of [(2R)-1-(3-methylanilino)-1-oxopropan-2-yl] 2-phenylacetate (CID 7874773) is [(2R)-1-(3-methylanilino)-1-oxopropan-2-yl] 2-phenylacetate.
What is the SMILES notation for [(2R)-1-(3-methylanilino)-1-oxopropan-2-yl] 2-phenylacetate?
The canonical SMILES for [(2R)-1-(3-methylanilino)-1-oxopropan-2-yl] 2-phenylacetate is Cc1cccc(NC(=O)[C@@H](C)OC(=O)Cc2ccccc2)c1.
What is the InChIKey of [(2R)-1-(3-methylanilino)-1-oxopropan-2-yl] 2-phenylacetate?
The InChIKey is DQTXJXJYDGOWFK-CQSZACIVSA-N. The full InChI is InChI=1S/C18H19NO3/c1-13-7-6-10-16(11-13)19-18(21)14(2)22-17(20)12-15-8-4-3-5-9-15/h3-11,14H,12H2,1-2H3,(H,19,21)/t14-/m1/s1.
What are the key properties of [(2R)-1-(3-methylanilino)-1-oxopropan-2-yl] 2-phenylacetate?
[(2R)-1-(3-methylanilino)-1-oxopropan-2-yl] 2-phenylacetate has a molecular weight of 297.35 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(3-methylanilino)-1-oxopropan-2-yl] 2-phenylacetate is sourced from PubChem (CID 7874773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).