benzyl 2-[[3-(cyclohexanecarbonylamino)benzoyl]amino]acetate

C23H26N2O4 — CID 39908237

IUPACbenzyl 2-[[3-(cyclohexanecarbonylamino)benzoyl]amino]acetate
SMILESO=C(CNC(=O)c1cccc(NC(=O)C2CCCCC2)c1)OCc1ccccc1
InChIInChI=1S/C23H26N2O4/c26-21(29-16-17-8-3-1-4-9-17)15-24-22(27)19-12-7-13-20(14-19)25-23(28)18-10-5-2-6-11-18/h1,3-4,7-9,12-14,18H,2,5-6,10-11,15-16H2,(H,24,27)(H,25,28)
InChIKeyOUNSGXQVGMYDCW-UHFFFAOYSA-N
MW394.47 g/mol
LogP3.68
Rot. Bonds7

About benzyl 2-[[3-(cyclohexanecarbonylamino)benzoyl]amino]acetate

benzyl 2-[[3-(cyclohexanecarbonylamino)benzoyl]amino]acetate (PubChem CID 39908237) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is benzyl 2-[[3-(cyclohexanecarbonylamino)benzoyl]amino]acetate.

Molecular Properties

Compound Namebenzyl 2-[[3-(cyclohexanecarbonylamino)benzoyl]amino]acetate
PubChem CID39908237
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC Namebenzyl 2-[[3-(cyclohexanecarbonylamino)benzoyl]amino]acetate
SMILESO=C(CNC(=O)c1cccc(NC(=O)C2CCCCC2)c1)OCc1ccccc1
InChIInChI=1S/C23H26N2O4/c26-21(29-16-17-8-3-1-4-9-17)15-24-22(27)19-12-7-13-20(14-19)25-23(28)18-10-5-2-6-11-18/h1,3-4,7-9,12-14,18H,2,5-6,10-11,15-16H2,(H,24,27)(H,25,28)
InChIKeyOUNSGXQVGMYDCW-UHFFFAOYSA-N
XLogP3.68
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-acetamidophenyl)methyl]-3-(cyclohexanecarbonylamino)benzamide
CID 39575427
3-[[3-(cyclohexanecarbonylamino)benzoyl]amino]-2,2-dimethylpropanoic acid
CID 75429563
3-(cyclohexanecarbonylamino)-N-(2-methoxyethyl)benzamide
CID 17218956
benzyl 2-benzamidoacetate;ethane
CID 142836612
3-(cyclohexanecarbonylamino)-N-[(3-methoxyphenyl)methyl]benzamide
CID 39906130
3-(cyclohexanecarbonylamino)-N-methoxybenzamide
CID 38039849
benzyl 2-[[3-(methanesulfonamido)benzoyl]amino]acetate
CID 30581707
3-(cyclohexanecarbonylamino)-N-(3-phenylprop-2-ynyl)benzamide
CID 55651913
benzyl 2-(cyclopropanecarbonylamino)acetate
CID 26878245
3-(cyclohexanecarbonylamino)-N-(2-hydroxypropyl)benzamide
CID 78866245
N-[3-[[[3-(cyclohexanecarbonylamino)benzoyl]amino]methyl]phenyl]pyrrolidine-1-carboxamide
CID 55862384
3-(cyclohexanecarbonylamino)-N-[2-(ethylamino)ethyl]benzamide
CID 119508589

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[[3-(cyclohexanecarbonylamino)benzoyl]amino]acetate?
The IUPAC name of benzyl 2-[[3-(cyclohexanecarbonylamino)benzoyl]amino]acetate (CID 39908237) is benzyl 2-[[3-(cyclohexanecarbonylamino)benzoyl]amino]acetate.
What is the SMILES notation for benzyl 2-[[3-(cyclohexanecarbonylamino)benzoyl]amino]acetate?
The canonical SMILES for benzyl 2-[[3-(cyclohexanecarbonylamino)benzoyl]amino]acetate is O=C(CNC(=O)c1cccc(NC(=O)C2CCCCC2)c1)OCc1ccccc1.
What is the InChIKey of benzyl 2-[[3-(cyclohexanecarbonylamino)benzoyl]amino]acetate?
The InChIKey is OUNSGXQVGMYDCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4/c26-21(29-16-17-8-3-1-4-9-17)15-24-22(27)19-12-7-13-20(14-19)25-23(28)18-10-5-2-6-11-18/h1,3-4,7-9,12-14,18H,2,5-6,10-11,15-16H2,(H,24,27)(H,25,28).
What are the key properties of benzyl 2-[[3-(cyclohexanecarbonylamino)benzoyl]amino]acetate?
benzyl 2-[[3-(cyclohexanecarbonylamino)benzoyl]amino]acetate has a molecular weight of 394.47 g/mol, XLogP of 3.68, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[[3-(cyclohexanecarbonylamino)benzoyl]amino]acetate is sourced from PubChem (CID 39908237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).