[2-[di(propan-2-yl)amino]-2-oxoethyl] (2S)-2-benzamido-3-phenylpropanoate

C24H30N2O4 — CID 2582585

IUPAC[2-[di(propan-2-yl)amino]-2-oxoethyl] (2S)-2-benzamido-3-phenylpropanoate
SMILESCC(C)N(C(=O)COC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)C(C)C
InChIInChI=1S/C24H30N2O4/c1-17(2)26(18(3)4)22(27)16-30-24(29)21(15-19-11-7-5-8-12-19)25-23(28)20-13-9-6-10-14-20/h5-14,17-18,21H,15-16H2,1-4H3,(H,25,28)/t21-/m0/s1
InChIKeyCMMVHBHWGIWJNH-NRFANRHFSA-N
MW410.51 g/mol
LogP3.22
Rot. Bonds9

About [2-[di(propan-2-yl)amino]-2-oxoethyl] (2S)-2-benzamido-3-phenylpropanoate

[2-[di(propan-2-yl)amino]-2-oxoethyl] (2S)-2-benzamido-3-phenylpropanoate (PubChem CID 2582585) has the molecular formula C24H30N2O4 and a molecular weight of 410.51 g/mol. Its IUPAC name is [2-[di(propan-2-yl)amino]-2-oxoethyl] (2S)-2-benzamido-3-phenylpropanoate.

Molecular Properties

Compound Name[2-[di(propan-2-yl)amino]-2-oxoethyl] (2S)-2-benzamido-3-phenylpropanoate
PubChem CID2582585
Molecular FormulaC24H30N2O4
Molecular Weight410.51 g/mol
Exact Mass410.22
IUPAC Name[2-[di(propan-2-yl)amino]-2-oxoethyl] (2S)-2-benzamido-3-phenylpropanoate
SMILESCC(C)N(C(=O)COC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)C(C)C
InChIInChI=1S/C24H30N2O4/c1-17(2)26(18(3)4)22(27)16-30-24(29)21(15-19-11-7-5-8-12-19)25-23(28)20-13-9-6-10-14-20/h5-14,17-18,21H,15-16H2,1-4H3,(H,25,28)/t21-/m0/s1
InChIKeyCMMVHBHWGIWJNH-NRFANRHFSA-N
XLogP3.22
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.51
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 2-benzamido-3-phenylpropanoate
CID 42968173
[2-(N-methylanilino)-2-oxoethyl] 2-benzamido-3-phenylpropanoate
CID 4148550
[2-[di(propan-2-yl)amino]-2-oxoethyl] (2S)-2-benzamidopropanoate
CID 2593799
[2-(2-methylpropylamino)-2-oxoethyl] (2R)-2-benzamido-3-phenylpropanoate
CID 2582572
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] (2S)-2-benzamido-3-phenylpropanoate
CID 2121472
[2-(ethylamino)-2-oxoethyl] (2R)-2-benzamido-3-phenylpropanoate
CID 2582560
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] (2R)-2-benzamido-3-phenylpropanoate
CID 7842645
[2-(4-methylanilino)-2-oxoethyl] (2R)-2-benzamido-3-phenylpropanoate
CID 8821196
[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] (2S)-2-benzamido-3-phenylpropanoate
CID 9491599
phenacyl (2S)-2-[(4-chlorobenzoyl)amino]-3-phenylpropanoate
CID 40796590
[2-(2-methylanilino)-2-oxoethyl] (2S)-2-benzamido-3-phenylpropanoate
CID 8821195
methyl (2R)-2-[[2-[(2R)-2-benzamidopropanoyl]oxyacetyl]amino]-3-phenylpropanoate
CID 39968914

Frequently Asked Questions

What is the IUPAC name of [2-[di(propan-2-yl)amino]-2-oxoethyl] (2S)-2-benzamido-3-phenylpropanoate?
The IUPAC name of [2-[di(propan-2-yl)amino]-2-oxoethyl] (2S)-2-benzamido-3-phenylpropanoate (CID 2582585) is [2-[di(propan-2-yl)amino]-2-oxoethyl] (2S)-2-benzamido-3-phenylpropanoate.
What is the SMILES notation for [2-[di(propan-2-yl)amino]-2-oxoethyl] (2S)-2-benzamido-3-phenylpropanoate?
The canonical SMILES for [2-[di(propan-2-yl)amino]-2-oxoethyl] (2S)-2-benzamido-3-phenylpropanoate is CC(C)N(C(=O)COC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)C(C)C.
What is the InChIKey of [2-[di(propan-2-yl)amino]-2-oxoethyl] (2S)-2-benzamido-3-phenylpropanoate?
The InChIKey is CMMVHBHWGIWJNH-NRFANRHFSA-N. The full InChI is InChI=1S/C24H30N2O4/c1-17(2)26(18(3)4)22(27)16-30-24(29)21(15-19-11-7-5-8-12-19)25-23(28)20-13-9-6-10-14-20/h5-14,17-18,21H,15-16H2,1-4H3,(H,25,28)/t21-/m0/s1.
What are the key properties of [2-[di(propan-2-yl)amino]-2-oxoethyl] (2S)-2-benzamido-3-phenylpropanoate?
[2-[di(propan-2-yl)amino]-2-oxoethyl] (2S)-2-benzamido-3-phenylpropanoate has a molecular weight of 410.51 g/mol, XLogP of 3.22, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[di(propan-2-yl)amino]-2-oxoethyl] (2S)-2-benzamido-3-phenylpropanoate is sourced from PubChem (CID 2582585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).