[2-(2-methylpropylamino)-2-oxoethyl] (2R)-2-benzamido-3-phenylpropanoate

C22H26N2O4 — CID 2582572

IUPAC[2-(2-methylpropylamino)-2-oxoethyl] (2R)-2-benzamido-3-phenylpropanoate
SMILESCC(C)CNC(=O)COC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1
InChIInChI=1S/C22H26N2O4/c1-16(2)14-23-20(25)15-28-22(27)19(13-17-9-5-3-6-10-17)24-21(26)18-11-7-4-8-12-18/h3-12,16,19H,13-15H2,1-2H3,(H,23,25)(H,24,26)/t19-/m1/s1
InChIKeyKLJABYFQHUSNQP-LJQANCHMSA-N
MW382.46 g/mol
LogP2.34
Rot. Bonds9

About [2-(2-methylpropylamino)-2-oxoethyl] (2R)-2-benzamido-3-phenylpropanoate

[2-(2-methylpropylamino)-2-oxoethyl] (2R)-2-benzamido-3-phenylpropanoate (PubChem CID 2582572) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is [2-(2-methylpropylamino)-2-oxoethyl] (2R)-2-benzamido-3-phenylpropanoate.

Molecular Properties

Compound Name[2-(2-methylpropylamino)-2-oxoethyl] (2R)-2-benzamido-3-phenylpropanoate
PubChem CID2582572
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC Name[2-(2-methylpropylamino)-2-oxoethyl] (2R)-2-benzamido-3-phenylpropanoate
SMILESCC(C)CNC(=O)COC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1
InChIInChI=1S/C22H26N2O4/c1-16(2)14-23-20(25)15-28-22(27)19(13-17-9-5-3-6-10-17)24-21(26)18-11-7-4-8-12-18/h3-12,16,19H,13-15H2,1-2H3,(H,23,25)(H,24,26)/t19-/m1/s1
InChIKeyKLJABYFQHUSNQP-LJQANCHMSA-N
XLogP2.34
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [2-(2-methylpropylamino)-2-oxoethyl] (2R)-2-benzamido-3-phenylpropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(ethylamino)-2-oxoethyl] (2R)-2-benzamido-3-phenylpropanoate
CID 2582560
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] (2S)-2-benzamido-3-phenylpropanoate
CID 2121472
[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] (2S)-2-benzamido-3-phenylpropanoate
CID 9491599
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] (2R)-2-benzamido-3-phenylpropanoate
CID 7842645
[2-[di(propan-2-yl)amino]-2-oxoethyl] (2S)-2-benzamido-3-phenylpropanoate
CID 2582585
[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2-benzamido-3-phenylpropanoate
CID 3372467
[2-(2-methylanilino)-2-oxoethyl] (2S)-2-benzamido-3-phenylpropanoate
CID 8821195
[2-(4-methylanilino)-2-oxoethyl] (2R)-2-benzamido-3-phenylpropanoate
CID 8821196
methyl (2R)-2-[[2-[(2R)-2-benzamidopropanoyl]oxyacetyl]amino]-3-phenylpropanoate
CID 39968914
[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] (2S)-2-(carbamoylamino)-3-phenylpropanoate
CID 8938266
[2-(1-adamantylmethylamino)-2-oxoethyl] 2-benzamido-3-phenylpropanoate
CID 5185063
[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 2-benzamido-3-phenylpropanoate
CID 42968173

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylpropylamino)-2-oxoethyl] (2R)-2-benzamido-3-phenylpropanoate?
The IUPAC name of [2-(2-methylpropylamino)-2-oxoethyl] (2R)-2-benzamido-3-phenylpropanoate (CID 2582572) is [2-(2-methylpropylamino)-2-oxoethyl] (2R)-2-benzamido-3-phenylpropanoate.
What is the SMILES notation for [2-(2-methylpropylamino)-2-oxoethyl] (2R)-2-benzamido-3-phenylpropanoate?
The canonical SMILES for [2-(2-methylpropylamino)-2-oxoethyl] (2R)-2-benzamido-3-phenylpropanoate is CC(C)CNC(=O)COC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1.
What is the InChIKey of [2-(2-methylpropylamino)-2-oxoethyl] (2R)-2-benzamido-3-phenylpropanoate?
The InChIKey is KLJABYFQHUSNQP-LJQANCHMSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-16(2)14-23-20(25)15-28-22(27)19(13-17-9-5-3-6-10-17)24-21(26)18-11-7-4-8-12-18/h3-12,16,19H,13-15H2,1-2H3,(H,23,25)(H,24,26)/t19-/m1/s1.
What are the key properties of [2-(2-methylpropylamino)-2-oxoethyl] (2R)-2-benzamido-3-phenylpropanoate?
[2-(2-methylpropylamino)-2-oxoethyl] (2R)-2-benzamido-3-phenylpropanoate has a molecular weight of 382.46 g/mol, XLogP of 2.34, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylpropylamino)-2-oxoethyl] (2R)-2-benzamido-3-phenylpropanoate is sourced from PubChem (CID 2582572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).