[(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-benzamidoacetate

C19H20N2O4 — CID 2625448

IUPAC[(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-benzamidoacetate
SMILESC[C@@H](OC(=O)CNC(=O)c1ccccc1)C(=O)N(C)c1ccccc1
InChIInChI=1S/C19H20N2O4/c1-14(19(24)21(2)16-11-7-4-8-12-16)25-17(22)13-20-18(23)15-9-5-3-6-10-15/h3-12,14H,13H2,1-2H3,(H,20,23)/t14-/m1/s1
InChIKeyKFTMDSBDCRZNQK-CQSZACIVSA-N
MW340.38 g/mol
LogP2.01
Rot. Bonds6

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

[(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-benzamidoacetate (PubChem CID 2625448) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is [(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-benzamidoacetate.

Molecular Properties

Compound Name[(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-benzamidoacetate
PubChem CID2625448
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name[(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-benzamidoacetate
SMILESC[C@@H](OC(=O)CNC(=O)c1ccccc1)C(=O)N(C)c1ccccc1
InChIInChI=1S/C19H20N2O4/c1-14(19(24)21(2)16-11-7-4-8-12-16)25-17(22)13-20-18(23)15-9-5-3-6-10-15/h3-12,14H,13H2,1-2H3,(H,20,23)/t14-/m1/s1
InChIKeyKFTMDSBDCRZNQK-CQSZACIVSA-N
XLogP2.01
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-[[4-(trifluoromethyl)benzoyl]amino]acetate
CID 7880467
[(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-[(3,4-dimethylbenzoyl)amino]acetate
CID 7885174
[(2R)-1-(N-ethylanilino)-1-oxopropan-2-yl] 2-benzamidoacetate
CID 7783257
[(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-[(2-fluorobenzoyl)amino]acetate
CID 2602068
[1-(N-methylanilino)-1-oxopropan-2-yl] 2-[(2-iodobenzoyl)amino]acetate
CID 55307491
N-[2-(N-methylanilino)-2-oxoethyl]benzamide
CID 12674158
[2-(dimethylamino)-2-oxo-1-phenylethyl] 2-benzamidoacetate
CID 46824068
[(2S)-1-(4-tert-butylphenyl)-1-oxopropan-2-yl] 2-benzamidoacetate
CID 7783210
[(2R)-1-(4-chlorophenyl)-1-oxopropan-2-yl] 2-benzamidoacetate
CID 7889617
[(2R)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 2-benzamidoacetate
CID 7783196
[(2R)-1-(N-ethylanilino)-1-oxopropan-2-yl] 2-[(3-nitrobenzoyl)amino]acetate
CID 9269603
[1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 2-[(3-methoxybenzoyl)amino]acetate
CID 55320574

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-benzamidoacetate?
The IUPAC name of [(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-benzamidoacetate (CID 2625448) is [(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-benzamidoacetate.
What is the SMILES notation for [(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-benzamidoacetate?
The canonical SMILES for [(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-benzamidoacetate is C[C@@H](OC(=O)CNC(=O)c1ccccc1)C(=O)N(C)c1ccccc1.
What is the InChIKey of [(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-benzamidoacetate?
The InChIKey is KFTMDSBDCRZNQK-CQSZACIVSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-14(19(24)21(2)16-11-7-4-8-12-16)25-17(22)13-20-18(23)15-9-5-3-6-10-15/h3-12,14H,13H2,1-2H3,(H,20,23)/t14-/m1/s1.
What are the key properties of [(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-benzamidoacetate?
[(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-benzamidoacetate has a molecular weight of 340.38 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-benzamidoacetate is sourced from PubChem (CID 2625448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).