(4-benzamidocyclohexyl) acetate

C15H19NO3 — CID 155552479

IUPAC(4-benzamidocyclohexyl) acetate
SMILESCC(=O)OC1CCC(NC(=O)c2ccccc2)CC1
InChIInChI=1S/C15H19NO3/c1-11(17)19-14-9-7-13(8-10-14)16-15(18)12-5-3-2-4-6-12/h2-6,13-14H,7-10H2,1H3,(H,16,18)
InChIKeyMEWSPNVSJGEROG-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.29
Rot. Bonds3

About (4-benzamidocyclohexyl) acetate

(4-benzamidocyclohexyl) acetate (PubChem CID 155552479) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is (4-benzamidocyclohexyl) acetate.

Molecular Properties

Compound Name(4-benzamidocyclohexyl) acetate
PubChem CID155552479
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name(4-benzamidocyclohexyl) acetate
SMILESCC(=O)OC1CCC(NC(=O)c2ccccc2)CC1
InChIInChI=1S/C15H19NO3/c1-11(17)19-14-9-7-13(8-10-14)16-15(18)12-5-3-2-4-6-12/h2-6,13-14H,7-10H2,1H3,(H,16,18)
InChIKeyMEWSPNVSJGEROG-UHFFFAOYSA-N
XLogP2.29
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(-)-cis-2-Benzamidocyclohexanecarboxylic Acid
CID 1268226
l-Phenylalanine-, N-(p-toluoyl)-, methyl ester
CID 531438
N-Cyclohexylbenzamide
CID 15657
N-(1-Ethoxy-1-oxo-3-phenylpropan-2-yl)benzenecarboximidic acid
CID 209394
N-Cyclohexyl-4-methylbenzamide
CID 228684
Cyclohexyl (benzoylamino)acetate
CID 672410
N-benzoyl-phenylalanine methyl ester
CID 569674
6-Benzamidohexanoic acid
CID 70388
(+)-cis-2-Benzamidocyclohexanecarboxylic Acid
CID 1268229
Phenacyl 3-benzamidopropanoate
CID 2556661
Cyanomethyl 2-benzamidopropanoate
CID 21323655
Alanine, N-benzoyl-3-phenyl-, cyanomethyl ester, L-
CID 47313

Frequently Asked Questions

What is the IUPAC name of (4-benzamidocyclohexyl) acetate?
The IUPAC name of (4-benzamidocyclohexyl) acetate (CID 155552479) is (4-benzamidocyclohexyl) acetate.
What is the SMILES notation for (4-benzamidocyclohexyl) acetate?
The canonical SMILES for (4-benzamidocyclohexyl) acetate is CC(=O)OC1CCC(NC(=O)c2ccccc2)CC1.
What is the InChIKey of (4-benzamidocyclohexyl) acetate?
The InChIKey is MEWSPNVSJGEROG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-11(17)19-14-9-7-13(8-10-14)16-15(18)12-5-3-2-4-6-12/h2-6,13-14H,7-10H2,1H3,(H,16,18).
What are the key properties of (4-benzamidocyclohexyl) acetate?
(4-benzamidocyclohexyl) acetate has a molecular weight of 261.32 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzamidocyclohexyl) acetate is sourced from PubChem (CID 155552479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).