[2-[di(propan-2-yl)amino]-2-oxoethyl] (2S)-2-benzamidopropanoate

C18H26N2O4 — CID 2593799

IUPAC[2-[di(propan-2-yl)amino]-2-oxoethyl] (2S)-2-benzamidopropanoate
SMILESCC(C)N(C(=O)COC(=O)[C@H](C)NC(=O)c1ccccc1)C(C)C
InChIInChI=1S/C18H26N2O4/c1-12(2)20(13(3)4)16(21)11-24-18(23)14(5)19-17(22)15-9-7-6-8-10-15/h6-10,12-14H,11H2,1-5H3,(H,19,22)/t14-/m0/s1
InChIKeyQRKXAPCRHUWOOS-AWEZNQCLSA-N
MW334.42 g/mol
LogP1.99
Rot. Bonds7

About [2-[di(propan-2-yl)amino]-2-oxoethyl] (2S)-2-benzamidopropanoate

[2-[di(propan-2-yl)amino]-2-oxoethyl] (2S)-2-benzamidopropanoate (PubChem CID 2593799) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is [2-[di(propan-2-yl)amino]-2-oxoethyl] (2S)-2-benzamidopropanoate.

Molecular Properties

Compound Name[2-[di(propan-2-yl)amino]-2-oxoethyl] (2S)-2-benzamidopropanoate
PubChem CID2593799
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC Name[2-[di(propan-2-yl)amino]-2-oxoethyl] (2S)-2-benzamidopropanoate
SMILESCC(C)N(C(=O)COC(=O)[C@H](C)NC(=O)c1ccccc1)C(C)C
InChIInChI=1S/C18H26N2O4/c1-12(2)20(13(3)4)16(21)11-24-18(23)14(5)19-17(22)15-9-7-6-8-10-15/h6-10,12-14H,11H2,1-5H3,(H,19,22)/t14-/m0/s1
InChIKeyQRKXAPCRHUWOOS-AWEZNQCLSA-N
XLogP1.99
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[di(propan-2-yl)amino]-2-oxoethyl] (2S)-2-benzamido-3-phenylpropanoate
CID 2582585
[2-(4-benzamidophenyl)-2-oxoethyl] (2S)-2-benzamidopropanoate
CID 55927240
methyl (2S)-2-benzamidopropanoate
CID 6364617
propyl 2-benzamidopropanoate
CID 71628004
[2-(4-carbamoylanilino)-2-oxoethyl] (2S)-2-benzamidopropanoate
CID 2594012
[2-(4-bromoanilino)-2-oxoethyl] (2S)-2-benzamidopropanoate
CID 2593861
prop-2-enyl 2-benzamidopropanoate
CID 2910482
butyl (2S)-2-benzamidopropanoate
CID 14654754
butyl 2-benzamidopropanoate
CID 14654753
[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] (2R)-2-benzamidopropanoate
CID 2593672
[2-(dimethylamino)-2-oxoethyl] (2S)-2-[(3-methylbenzoyl)amino]propanoate
CID 8885262
[2-(cyclohexylmethylamino)-2-oxoethyl] (2S)-2-benzamidopropanoate
CID 55936242

Frequently Asked Questions

What is the IUPAC name of [2-[di(propan-2-yl)amino]-2-oxoethyl] (2S)-2-benzamidopropanoate?
The IUPAC name of [2-[di(propan-2-yl)amino]-2-oxoethyl] (2S)-2-benzamidopropanoate (CID 2593799) is [2-[di(propan-2-yl)amino]-2-oxoethyl] (2S)-2-benzamidopropanoate.
What is the SMILES notation for [2-[di(propan-2-yl)amino]-2-oxoethyl] (2S)-2-benzamidopropanoate?
The canonical SMILES for [2-[di(propan-2-yl)amino]-2-oxoethyl] (2S)-2-benzamidopropanoate is CC(C)N(C(=O)COC(=O)[C@H](C)NC(=O)c1ccccc1)C(C)C.
What is the InChIKey of [2-[di(propan-2-yl)amino]-2-oxoethyl] (2S)-2-benzamidopropanoate?
The InChIKey is QRKXAPCRHUWOOS-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H26N2O4/c1-12(2)20(13(3)4)16(21)11-24-18(23)14(5)19-17(22)15-9-7-6-8-10-15/h6-10,12-14H,11H2,1-5H3,(H,19,22)/t14-/m0/s1.
What are the key properties of [2-[di(propan-2-yl)amino]-2-oxoethyl] (2S)-2-benzamidopropanoate?
[2-[di(propan-2-yl)amino]-2-oxoethyl] (2S)-2-benzamidopropanoate has a molecular weight of 334.42 g/mol, XLogP of 1.99, 7 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-benzamidopropanoate is sourced from PubChem (CID 2593799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).