[2-(4-benzamidophenyl)-2-oxoethyl] 3-cyclohexylpropanoate

C24H27NO4 — CID 7628553

IUPAC[2-(4-benzamidophenyl)-2-oxoethyl] 3-cyclohexylpropanoate
SMILESO=C(CCC1CCCCC1)OCC(=O)c1ccc(NC(=O)c2ccccc2)cc1
InChIInChI=1S/C24H27NO4/c26-22(17-29-23(27)16-11-18-7-3-1-4-8-18)19-12-14-21(15-13-19)25-24(28)20-9-5-2-6-10-20/h2,5-6,9-10,12-15,18H,1,3-4,7-8,11,16-17H2,(H,25,28)
InChIKeyNOGLFTUNBRIFBD-UHFFFAOYSA-N
MW393.48 g/mol
LogP5.03
Rot. Bonds8

About [2-(4-benzamidophenyl)-2-oxoethyl] 3-cyclohexylpropanoate

[2-(4-benzamidophenyl)-2-oxoethyl] 3-cyclohexylpropanoate (PubChem CID 7628553) has the molecular formula C24H27NO4 and a molecular weight of 393.48 g/mol. Its IUPAC name is [2-(4-benzamidophenyl)-2-oxoethyl] 3-cyclohexylpropanoate.

Molecular Properties

Compound Name[2-(4-benzamidophenyl)-2-oxoethyl] 3-cyclohexylpropanoate
PubChem CID7628553
Molecular FormulaC24H27NO4
Molecular Weight393.48 g/mol
Exact Mass393.19
IUPAC Name[2-(4-benzamidophenyl)-2-oxoethyl] 3-cyclohexylpropanoate
SMILESO=C(CCC1CCCCC1)OCC(=O)c1ccc(NC(=O)c2ccccc2)cc1
InChIInChI=1S/C24H27NO4/c26-22(17-29-23(27)16-11-18-7-3-1-4-8-18)19-12-14-21(15-13-19)25-24(28)20-9-5-2-6-10-20/h2,5-6,9-10,12-15,18H,1,3-4,7-8,11,16-17H2,(H,25,28)
InChIKeyNOGLFTUNBRIFBD-UHFFFAOYSA-N
XLogP5.03
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.48
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-benzamidophenyl)-2-oxoethyl] cyclopropanecarboxylate
CID 7489555
phenacyl 11-cycloheptyl(1113C)undecanoate
CID 10549123
[2-(4-benzamidophenyl)-2-oxoethyl] (1S,5S)-9-oxobicyclo[3.3.1]nonane-3-carboxylate
CID 50985750
[2-(3-bromophenyl)-2-oxoethyl] 3-cyclopentylpropanoate
CID 23733164
[2-(4-carbamoylanilino)-2-oxoethyl] 4-cyclohexylbutanoate
CID 7554876
[2-(naphthalen-2-ylamino)-2-oxoethyl] 3-cyclopentylpropanoate
CID 7751597
phenacyl 4-[(4-bromobenzoyl)amino]benzoate
CID 2265866
N-[4-(3-cyclopentylpropanoyl)phenyl]acetamide
CID 43337935
[2-(4-benzamidophenyl)-2-oxoethyl] (2S)-2-benzamidopropanoate
CID 55927240
[2-[(9,10-dioxoanthracen-2-yl)amino]-2-oxoethyl] 3-cyclopentylpropanoate
CID 3952183
N-(4-cyclohexylphenyl)benzamide
CID 10333838
4-benzamido-N-cyclopentylbenzamide
CID 1262350

Frequently Asked Questions

What is the IUPAC name of [2-(4-benzamidophenyl)-2-oxoethyl] 3-cyclohexylpropanoate?
The IUPAC name of [2-(4-benzamidophenyl)-2-oxoethyl] 3-cyclohexylpropanoate (CID 7628553) is [2-(4-benzamidophenyl)-2-oxoethyl] 3-cyclohexylpropanoate.
What is the SMILES notation for [2-(4-benzamidophenyl)-2-oxoethyl] 3-cyclohexylpropanoate?
The canonical SMILES for [2-(4-benzamidophenyl)-2-oxoethyl] 3-cyclohexylpropanoate is O=C(CCC1CCCCC1)OCC(=O)c1ccc(NC(=O)c2ccccc2)cc1.
What is the InChIKey of [2-(4-benzamidophenyl)-2-oxoethyl] 3-cyclohexylpropanoate?
The InChIKey is NOGLFTUNBRIFBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO4/c26-22(17-29-23(27)16-11-18-7-3-1-4-8-18)19-12-14-21(15-13-19)25-24(28)20-9-5-2-6-10-20/h2,5-6,9-10,12-15,18H,1,3-4,7-8,11,16-17H2,(H,25,28).
What are the key properties of [2-(4-benzamidophenyl)-2-oxoethyl] 3-cyclohexylpropanoate?
[2-(4-benzamidophenyl)-2-oxoethyl] 3-cyclohexylpropanoate has a molecular weight of 393.48 g/mol, XLogP of 5.03, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-benzamidophenyl)-2-oxoethyl] 3-cyclohexylpropanoate is sourced from PubChem (CID 7628553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).