[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl] 2-benzamidobenzoate

C25H26N2O4 — CID 8569168

IUPAC[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl] 2-benzamidobenzoate
SMILESO=C(Nc1ccccc1C(=O)OCC(=O)N(C1=CCCCC1)C1CC1)c1ccccc1
InChIInChI=1S/C25H26N2O4/c28-23(27(20-15-16-20)19-11-5-2-6-12-19)17-31-25(30)21-13-7-8-14-22(21)26-24(29)18-9-3-1-4-10-18/h1,3-4,7-11,13-14,20H,2,5-6,12,15-17H2,(H,26,29)
InChIKeyHXUMOALOVSXBAX-UHFFFAOYSA-N
MW418.49 g/mol
LogP4.54
Rot. Bonds7

About [2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl] 2-benzamidobenzoate

[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl] 2-benzamidobenzoate (PubChem CID 8569168) has the molecular formula C25H26N2O4 and a molecular weight of 418.49 g/mol. Its IUPAC name is [2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl] 2-benzamidobenzoate.

Molecular Properties

Compound Name[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl] 2-benzamidobenzoate
PubChem CID8569168
Molecular FormulaC25H26N2O4
Molecular Weight418.49 g/mol
Exact Mass418.19
IUPAC Name[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl] 2-benzamidobenzoate
SMILESO=C(Nc1ccccc1C(=O)OCC(=O)N(C1=CCCCC1)C1CC1)c1ccccc1
InChIInChI=1S/C25H26N2O4/c28-23(27(20-15-16-20)19-11-5-2-6-12-19)17-31-25(30)21-13-7-8-14-22(21)26-24(29)18-9-3-1-4-10-18/h1,3-4,7-11,13-14,20H,2,5-6,12,15-17H2,(H,26,29)
InChIKeyHXUMOALOVSXBAX-UHFFFAOYSA-N
XLogP4.54
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.49
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-benzamidobenzoate
CID 7557879
[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl] 3-(ethylsulfamoyl)benzoate
CID 30974212
[2-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 2-benzamidobenzoate
CID 11907986
(4-iodophenyl)methyl 2-benzamidobenzoate
CID 4601230
[(2R)-oxolan-2-yl]methyl 2-benzamidobenzoate
CID 40820524
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-benzamidobenzoate
CID 7835824
[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate
CID 75401976
[2-(2-fluoroanilino)-2-oxoethyl] 2-benzamidobenzoate
CID 4576263
(4-carbamoylphenyl)methyl 2-benzamidobenzoate
CID 17410103
[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl] 2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxylate
CID 47009457
[2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 2-benzamidobenzoate
CID 30115703
(2-benzamido-2-oxoethyl) 2-[(4-chlorobenzoyl)amino]benzoate
CID 30221163

Frequently Asked Questions

What is the IUPAC name of [2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl] 2-benzamidobenzoate?
The IUPAC name of [2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl] 2-benzamidobenzoate (CID 8569168) is [2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl] 2-benzamidobenzoate.
What is the SMILES notation for [2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl] 2-benzamidobenzoate?
The canonical SMILES for [2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl] 2-benzamidobenzoate is O=C(Nc1ccccc1C(=O)OCC(=O)N(C1=CCCCC1)C1CC1)c1ccccc1.
What is the InChIKey of [2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl] 2-benzamidobenzoate?
The InChIKey is HXUMOALOVSXBAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O4/c28-23(27(20-15-16-20)19-11-5-2-6-12-19)17-31-25(30)21-13-7-8-14-22(21)26-24(29)18-9-3-1-4-10-18/h1,3-4,7-11,13-14,20H,2,5-6,12,15-17H2,(H,26,29).
What are the key properties of [2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl] 2-benzamidobenzoate?
[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl] 2-benzamidobenzoate has a molecular weight of 418.49 g/mol, XLogP of 4.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl] 2-benzamidobenzoate is sourced from PubChem (CID 8569168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).