[(2R)-1-(3-methylanilino)-1-oxopropan-2-yl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate

C24H24N2O4 — CID 8573808

IUPAC[(2R)-1-(3-methylanilino)-1-oxopropan-2-yl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate
SMILESCc1cccc(NC(=O)[C@@H](C)OC(=O)CNC(=O)Cc2cccc3ccccc23)c1
InChIInChI=1S/C24H24N2O4/c1-16-7-5-11-20(13-16)26-24(29)17(2)30-23(28)15-25-22(27)14-19-10-6-9-18-8-3-4-12-21(18)19/h3-13,17H,14-15H2,1-2H3,(H,25,27)(H,26,29)/t17-/m1/s1
InChIKeyRHSYNEKQPRTWMV-QGZVFWFLSA-N
MW404.47 g/mol
LogP3.38
Rot. Bonds7

About [(2R)-1-(3-methylanilino)-1-oxopropan-2-yl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate

[(2R)-1-(3-methylanilino)-1-oxopropan-2-yl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate (PubChem CID 8573808) has the molecular formula C24H24N2O4 and a molecular weight of 404.47 g/mol. Its IUPAC name is [(2R)-1-(3-methylanilino)-1-oxopropan-2-yl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate.

Molecular Properties

Compound Name[(2R)-1-(3-methylanilino)-1-oxopropan-2-yl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate
PubChem CID8573808
Molecular FormulaC24H24N2O4
Molecular Weight404.47 g/mol
Exact Mass404.17
IUPAC Name[(2R)-1-(3-methylanilino)-1-oxopropan-2-yl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate
SMILESCc1cccc(NC(=O)[C@@H](C)OC(=O)CNC(=O)Cc2cccc3ccccc23)c1
InChIInChI=1S/C24H24N2O4/c1-16-7-5-11-20(13-16)26-24(29)17(2)30-23(28)15-25-22(27)14-19-10-6-9-18-8-3-4-12-21(18)19/h3-13,17H,14-15H2,1-2H3,(H,25,27)(H,26,29)/t17-/m1/s1
InChIKeyRHSYNEKQPRTWMV-QGZVFWFLSA-N
XLogP3.38
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(3-methylanilino)-1-oxopropan-2-yl] 2-(naphthalene-2-carbonylamino)acetate
CID 42902368
[(2S)-1-anilino-1-oxopropan-2-yl] 2-[(3-methylbenzoyl)amino]acetate
CID 9363857
[(2R)-1-(3-methylanilino)-1-oxopropan-2-yl] 2-phenylacetate
CID 7874773
[(2S)-1-(3-methylanilino)-1-oxopropan-2-yl] 2-[(3,5-dimethoxybenzoyl)amino]acetate
CID 7884337
[1-(3-acetylanilino)-1-oxopropan-2-yl] 2-naphthalen-1-ylacetate
CID 46790161
[(2S)-1-(3-chloroanilino)-1-oxopropan-2-yl] 2-[(3-methylbenzoyl)amino]acetate
CID 9363647
[(2S)-1-(3-methoxyanilino)-1-oxopropan-2-yl] 2-[(3-methylbenzoyl)amino]acetate
CID 9363900
[(2R)-1-(3-methylanilino)-1-oxopropan-2-yl] 2-[(3-nitrobenzoyl)amino]acetate
CID 9269570
[(2R)-1-(3-methylanilino)-1-oxopropan-2-yl] 2-(2,6-dichlorophenyl)acetate
CID 7767207
[(2S)-1-(3-methylanilino)-1-oxopropan-2-yl] 2-(1,2-benzoxazol-3-yl)acetate
CID 8984347
[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-[(3-methylbenzoyl)amino]acetate
CID 9363910
[(2S)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] 2-[(3-methylbenzoyl)amino]acetate
CID 9363899

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(3-methylanilino)-1-oxopropan-2-yl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate?
The IUPAC name of [(2R)-1-(3-methylanilino)-1-oxopropan-2-yl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate (CID 8573808) is [(2R)-1-(3-methylanilino)-1-oxopropan-2-yl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate.
What is the SMILES notation for [(2R)-1-(3-methylanilino)-1-oxopropan-2-yl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate?
The canonical SMILES for [(2R)-1-(3-methylanilino)-1-oxopropan-2-yl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate is Cc1cccc(NC(=O)[C@@H](C)OC(=O)CNC(=O)Cc2cccc3ccccc23)c1.
What is the InChIKey of [(2R)-1-(3-methylanilino)-1-oxopropan-2-yl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate?
The InChIKey is RHSYNEKQPRTWMV-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H24N2O4/c1-16-7-5-11-20(13-16)26-24(29)17(2)30-23(28)15-25-22(27)14-19-10-6-9-18-8-3-4-12-21(18)19/h3-13,17H,14-15H2,1-2H3,(H,25,27)(H,26,29)/t17-/m1/s1.
What are the key properties of [(2R)-1-(3-methylanilino)-1-oxopropan-2-yl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate?
[(2R)-1-(3-methylanilino)-1-oxopropan-2-yl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate has a molecular weight of 404.47 g/mol, XLogP of 3.38, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(3-methylanilino)-1-oxopropan-2-yl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate is sourced from PubChem (CID 8573808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).