[(2R)-1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl] 2-[methyl(pyrimidin-2-yl)amino]acetate

C20H25N5O4 — CID 30906056

IUPAC[(2R)-1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl] 2-[methyl(pyrimidin-2-yl)amino]acetate
SMILESCc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)OC(=O)CN(C)c1ncccn1
InChIInChI=1S/C20H25N5O4/c1-13-7-5-8-14(2)18(13)24-16(26)11-23-19(28)15(3)29-17(27)12-25(4)20-21-9-6-10-22-20/h5-10,15H,11-12H2,1-4H3,(H,23,28)(H,24,26)/t15-/m1/s1
InChIKeyLQXAVUZOLZJGLY-OAHLLOKOSA-N
MW399.45 g/mol
LogP1.22
Rot. Bonds8

About [(2R)-1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl] 2-[methyl(pyrimidin-2-yl)amino]acetate

[(2R)-1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl] 2-[methyl(pyrimidin-2-yl)amino]acetate (PubChem CID 30906056) has the molecular formula C20H25N5O4 and a molecular weight of 399.45 g/mol. Its IUPAC name is [(2R)-1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl] 2-[methyl(pyrimidin-2-yl)amino]acetate.

Molecular Properties

Compound Name[(2R)-1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl] 2-[methyl(pyrimidin-2-yl)amino]acetate
PubChem CID30906056
Molecular FormulaC20H25N5O4
Molecular Weight399.45 g/mol
Exact Mass399.19
IUPAC Name[(2R)-1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl] 2-[methyl(pyrimidin-2-yl)amino]acetate
SMILESCc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)OC(=O)CN(C)c1ncccn1
InChIInChI=1S/C20H25N5O4/c1-13-7-5-8-14(2)18(13)24-16(26)11-23-19(28)15(3)29-17(27)12-25(4)20-21-9-6-10-22-20/h5-10,15H,11-12H2,1-4H3,(H,23,28)(H,24,26)/t15-/m1/s1
InChIKeyLQXAVUZOLZJGLY-OAHLLOKOSA-N
XLogP1.22
TPSA113.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [(2R)-1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl] 2-[methyl(pyrimidin-2-yl)amino]acetate with MolForge

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Related Compounds

[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate
CID 46602638
[(2R)-1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl] 2-cyclopentylacetate
CID 51914010
[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-[methyl(pyrimidin-2-yl)amino]acetate
CID 46481681
[1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl] 2-(2-methyl-1,3-thiazol-4-yl)acetate
CID 55327965
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-phenoxypropanamide
CID 51140359
[1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl] 3-quinolin-2-ylpropanoate
CID 46811609
[1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl] 3-(5-phenyl-1,3-oxazol-2-yl)propanoate
CID 55563158
[(2R)-1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl] 5-bromofuran-2-carboxylate
CID 29407800
[(2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl] 2-[methyl(pyrimidin-2-yl)amino]acetate
CID 30885920
(2R)-2-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]propanamide;hydrochloride
CID 119268629
[1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl] 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoate
CID 55367252
[1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl] 3-phenylfuran-2-carboxylate
CID 55479081

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl] 2-[methyl(pyrimidin-2-yl)amino]acetate?
The IUPAC name of [(2R)-1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl] 2-[methyl(pyrimidin-2-yl)amino]acetate (CID 30906056) is [(2R)-1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl] 2-[methyl(pyrimidin-2-yl)amino]acetate.
What is the SMILES notation for [(2R)-1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl] 2-[methyl(pyrimidin-2-yl)amino]acetate?
The canonical SMILES for [(2R)-1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl] 2-[methyl(pyrimidin-2-yl)amino]acetate is Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)OC(=O)CN(C)c1ncccn1.
What is the InChIKey of [(2R)-1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl] 2-[methyl(pyrimidin-2-yl)amino]acetate?
The InChIKey is LQXAVUZOLZJGLY-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H25N5O4/c1-13-7-5-8-14(2)18(13)24-16(26)11-23-19(28)15(3)29-17(27)12-25(4)20-21-9-6-10-22-20/h5-10,15H,11-12H2,1-4H3,(H,23,28)(H,24,26)/t15-/m1/s1.
What are the key properties of [(2R)-1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl] 2-[methyl(pyrimidin-2-yl)amino]acetate?
[(2R)-1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl] 2-[methyl(pyrimidin-2-yl)amino]acetate has a molecular weight of 399.45 g/mol, XLogP of 1.22, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl] 2-[methyl(pyrimidin-2-yl)amino]acetate is sourced from PubChem (CID 30906056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).