[(2R)-1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-benzamidoacetate

C20H22N2O5 — CID 7709454

IUPAC[(2R)-1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-benzamidoacetate
SMILESCCOc1ccccc1NC(=O)[C@@H](C)OC(=O)CNC(=O)c1ccccc1
InChIInChI=1S/C20H22N2O5/c1-3-26-17-12-8-7-11-16(17)22-19(24)14(2)27-18(23)13-21-20(25)15-9-5-4-6-10-15/h4-12,14H,3,13H2,1-2H3,(H,21,25)(H,22,24)/t14-/m1/s1
InChIKeyKKOQRPBMJBVNEL-CQSZACIVSA-N
MW370.41 g/mol
LogP2.39
Rot. Bonds8

About [(2R)-1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-benzamidoacetate

[(2R)-1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-benzamidoacetate (PubChem CID 7709454) has the molecular formula C20H22N2O5 and a molecular weight of 370.41 g/mol. Its IUPAC name is [(2R)-1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-benzamidoacetate.

Molecular Properties

Compound Name[(2R)-1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-benzamidoacetate
PubChem CID7709454
Molecular FormulaC20H22N2O5
Molecular Weight370.41 g/mol
Exact Mass370.15
IUPAC Name[(2R)-1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-benzamidoacetate
SMILESCCOc1ccccc1NC(=O)[C@@H](C)OC(=O)CNC(=O)c1ccccc1
InChIInChI=1S/C20H22N2O5/c1-3-26-17-12-8-7-11-16(17)22-19(24)14(2)27-18(23)13-21-20(25)15-9-5-4-6-10-15/h4-12,14H,3,13H2,1-2H3,(H,21,25)(H,22,24)/t14-/m1/s1
InChIKeyKKOQRPBMJBVNEL-CQSZACIVSA-N
XLogP2.39
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(2-butan-2-ylanilino)-1-oxopropan-2-yl] 2-benzamidoacetate
CID 55318942
[1-(2,3-dimethylanilino)-1-oxopropan-2-yl] 2-benzamidoacetate
CID 5167095
[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-[(3-methylbenzoyl)amino]acetate
CID 9363856
[(2S)-1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-phenylsulfanylacetate
CID 8948060
[(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 8943779
[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-[(3,5-dimethoxybenzoyl)amino]acetate
CID 7884292
[1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-(2-chlorophenyl)acetate
CID 46618850
[(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl] 2-[(2-ethoxybenzoyl)amino]acetate
CID 7992387
[1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-(4-propanoylphenoxy)acetate
CID 55417200
[1-oxo-1-(2-phenylanilino)propan-2-yl] 2-[(3-bromobenzoyl)amino]acetate
CID 42969052
[1-(2-ethoxyanilino)-1-oxopropan-2-yl] 4-chlorobenzoate
CID 4103293
N-[2-(2-ethoxyanilino)-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 112998798

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-benzamidoacetate?
The IUPAC name of [(2R)-1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-benzamidoacetate (CID 7709454) is [(2R)-1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-benzamidoacetate.
What is the SMILES notation for [(2R)-1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-benzamidoacetate?
The canonical SMILES for [(2R)-1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-benzamidoacetate is CCOc1ccccc1NC(=O)[C@@H](C)OC(=O)CNC(=O)c1ccccc1.
What is the InChIKey of [(2R)-1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-benzamidoacetate?
The InChIKey is KKOQRPBMJBVNEL-CQSZACIVSA-N. The full InChI is InChI=1S/C20H22N2O5/c1-3-26-17-12-8-7-11-16(17)22-19(24)14(2)27-18(23)13-21-20(25)15-9-5-4-6-10-15/h4-12,14H,3,13H2,1-2H3,(H,21,25)(H,22,24)/t14-/m1/s1.
What are the key properties of [(2R)-1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-benzamidoacetate?
[(2R)-1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-benzamidoacetate has a molecular weight of 370.41 g/mol, XLogP of 2.39, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-benzamidoacetate is sourced from PubChem (CID 7709454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).