(4-acetamidocyclohexyl) acetate

C10H17NO3 — CID 15442390

IUPAC(4-acetamidocyclohexyl) acetate
SMILESCC(=O)NC1CCC(OC(C)=O)CC1
InChIInChI=1S/C10H17NO3/c1-7(12)11-9-3-5-10(6-4-9)14-8(2)13/h9-10H,3-6H2,1-2H3,(H,11,12)
InChIKeyZNRIHYSSRORILS-UHFFFAOYSA-N
MW199.25 g/mol
LogP1.00
Rot. Bonds2

About (4-acetamidocyclohexyl) acetate

(4-acetamidocyclohexyl) acetate (PubChem CID 15442390) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is (4-acetamidocyclohexyl) acetate.

Molecular Properties

Compound Name(4-acetamidocyclohexyl) acetate
PubChem CID15442390
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name(4-acetamidocyclohexyl) acetate
SMILESCC(=O)NC1CCC(OC(C)=O)CC1
InChIInChI=1S/C10H17NO3/c1-7(12)11-9-3-5-10(6-4-9)14-8(2)13/h9-10H,3-6H2,1-2H3,(H,11,12)
InChIKeyZNRIHYSSRORILS-UHFFFAOYSA-N
XLogP1.00
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(2-sulfanylpropan-2-yloxy)cyclohexyl]acetamide
CID 166826160
(6-acetyloxycyclodecyl) acetate
CID 539578
cycloheptadecyl acetate
CID 57215828
[(1S,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl] acetate
CID 141204267
4-(4-acetamidocyclohexyl)oxybutanamide
CID 169159363
cyclohexyl acetate;dihydrochloride
CID 140971070
azane;cyclohexyl acetate
CID 174554221
N-[4-(ethylperoxymethyl)cyclohexyl]acetamide
CID 59941935
(4,4-diaminocyclohexyl) acetate
CID 174708289
N-[4-(ethylaminomethyl)cyclohexyl]acetamide
CID 118947012
N-[(1R,3S)-3-(methylamino)cyclopentyl]acetamide
CID 139574017
lithium;carbanide;cyclohexyl acetate
CID 158677387

Frequently Asked Questions

What is the IUPAC name of (4-acetamidocyclohexyl) acetate?
The IUPAC name of (4-acetamidocyclohexyl) acetate (CID 15442390) is (4-acetamidocyclohexyl) acetate.
What is the SMILES notation for (4-acetamidocyclohexyl) acetate?
The canonical SMILES for (4-acetamidocyclohexyl) acetate is CC(=O)NC1CCC(OC(C)=O)CC1.
What is the InChIKey of (4-acetamidocyclohexyl) acetate?
The InChIKey is ZNRIHYSSRORILS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-7(12)11-9-3-5-10(6-4-9)14-8(2)13/h9-10H,3-6H2,1-2H3,(H,11,12).
What are the key properties of (4-acetamidocyclohexyl) acetate?
(4-acetamidocyclohexyl) acetate has a molecular weight of 199.25 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-acetamidocyclohexyl) acetate is sourced from PubChem (CID 15442390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).