[2-(dicyclohexylamino)-2-oxoethyl] 2-benzamidoacetate

C23H32N2O4 — CID 3593681

IUPAC[2-(dicyclohexylamino)-2-oxoethyl] 2-benzamidoacetate
SMILESO=C(CNC(=O)c1ccccc1)OCC(=O)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C23H32N2O4/c26-21(17-29-22(27)16-24-23(28)18-10-4-1-5-11-18)25(19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1,4-5,10-11,19-20H,2-3,6-9,12-17H2,(H,24,28)
InChIKeyZRACEOSPEISMRB-UHFFFAOYSA-N
MW400.52 g/mol
LogP3.45
Rot. Bonds7

About [2-(dicyclohexylamino)-2-oxoethyl] 2-benzamidoacetate

[2-(dicyclohexylamino)-2-oxoethyl] 2-benzamidoacetate (PubChem CID 3593681) has the molecular formula C23H32N2O4 and a molecular weight of 400.52 g/mol. Its IUPAC name is [2-(dicyclohexylamino)-2-oxoethyl] 2-benzamidoacetate.

Molecular Properties

Compound Name[2-(dicyclohexylamino)-2-oxoethyl] 2-benzamidoacetate
PubChem CID3593681
Molecular FormulaC23H32N2O4
Molecular Weight400.52 g/mol
Exact Mass400.24
IUPAC Name[2-(dicyclohexylamino)-2-oxoethyl] 2-benzamidoacetate
SMILESO=C(CNC(=O)c1ccccc1)OCC(=O)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C23H32N2O4/c26-21(17-29-22(27)16-24-23(28)18-10-4-1-5-11-18)25(19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1,4-5,10-11,19-20H,2-3,6-9,12-17H2,(H,24,28)
InChIKeyZRACEOSPEISMRB-UHFFFAOYSA-N
XLogP3.45
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate
CID 42012351
[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 2-benzamidoacetate
CID 9319445
[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate
CID 7042884
[2-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 2-benzamidoacetate
CID 11915778
[2-[[(1S,2S,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 2-benzamidoacetate
CID 7783372
(2-ethoxy-2-oxoethyl) 2-benzamidoacetate
CID 134093202
(2-methoxy-2-oxoethyl) 2-benzamidoacetate
CID 24647854
cyclohexylmethyl 2-[(4-phenylbenzoyl)amino]acetate
CID 7854658
[2-(dimethylamino)-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate
CID 8834418
[2-[bis[(2S)-butan-2-yl]amino]-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate
CID 9492415
[(1S,9aR)-1,2,3,4,5,6,7,8,9,9a-decahydroquinolizin-5-ium-1-yl]methyl 2-benzamidoacetate
CID 11898479
N-[2-[cyclobutyl(2-hydroxyethyl)amino]-2-oxoethyl]benzamide
CID 102684785

Frequently Asked Questions

What is the IUPAC name of [2-(dicyclohexylamino)-2-oxoethyl] 2-benzamidoacetate?
The IUPAC name of [2-(dicyclohexylamino)-2-oxoethyl] 2-benzamidoacetate (CID 3593681) is [2-(dicyclohexylamino)-2-oxoethyl] 2-benzamidoacetate.
What is the SMILES notation for [2-(dicyclohexylamino)-2-oxoethyl] 2-benzamidoacetate?
The canonical SMILES for [2-(dicyclohexylamino)-2-oxoethyl] 2-benzamidoacetate is O=C(CNC(=O)c1ccccc1)OCC(=O)N(C1CCCCC1)C1CCCCC1.
What is the InChIKey of [2-(dicyclohexylamino)-2-oxoethyl] 2-benzamidoacetate?
The InChIKey is ZRACEOSPEISMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O4/c26-21(17-29-22(27)16-24-23(28)18-10-4-1-5-11-18)25(19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1,4-5,10-11,19-20H,2-3,6-9,12-17H2,(H,24,28).
What are the key properties of [2-(dicyclohexylamino)-2-oxoethyl] 2-benzamidoacetate?
[2-(dicyclohexylamino)-2-oxoethyl] 2-benzamidoacetate has a molecular weight of 400.52 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dicyclohexylamino)-2-oxoethyl] 2-benzamidoacetate is sourced from PubChem (CID 3593681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).