ethyl 2-[4-[methyl(propanoyl)amino]cyclohexyl]acetate

C14H25NO3 — CID 121438943

IUPACethyl 2-[4-[methyl(propanoyl)amino]cyclohexyl]acetate
SMILESCCOC(=O)CC1CCC(N(C)C(=O)CC)CC1
InChIInChI=1S/C14H25NO3/c1-4-13(16)15(3)12-8-6-11(7-9-12)10-14(17)18-5-2/h11-12H,4-10H2,1-3H3
InChIKeyHZDINJVRKQCTBL-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.37
Rot. Bonds5

About ethyl 2-[4-[methyl(propanoyl)amino]cyclohexyl]acetate

ethyl 2-[4-[methyl(propanoyl)amino]cyclohexyl]acetate (PubChem CID 121438943) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is ethyl 2-[4-[methyl(propanoyl)amino]cyclohexyl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-[methyl(propanoyl)amino]cyclohexyl]acetate
PubChem CID121438943
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Nameethyl 2-[4-[methyl(propanoyl)amino]cyclohexyl]acetate
SMILESCCOC(=O)CC1CCC(N(C)C(=O)CC)CC1
InChIInChI=1S/C14H25NO3/c1-4-13(16)15(3)12-8-6-11(7-9-12)10-14(17)18-5-2/h11-12H,4-10H2,1-3H3
InChIKeyHZDINJVRKQCTBL-UHFFFAOYSA-N
XLogP2.37
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[4-[bis(2-hydroxyethyl)amino]cyclohexyl]acetate
CID 12636193
ethyl 2-[4-(aminomethyl)cyclohexyl]acetate
CID 70333182
ethyl 2-[cyclopropyl-(2-cyclopropylacetyl)amino]acetate
CID 55150352
ethyl 2-(4,4-dimethylcyclohexyl)acetate
CID 23001036
ethyl 2-(4-bromocyclohexyl)acetate
CID 54545940
ethyl 3-[cyclobutyl(methyl)amino]-3-oxopropanoate
CID 115138534
4-[methyl(propanoyl)amino]cyclohexane-1-carboxylic acid
CID 115270020
ethyl 2-(1-methanidylpiperidin-1-ium-4-yl)acetate
CID 59130933
ethyl 2-[(4-aminocyclohexyl)-methylamino]acetate
CID 79121417
ethyl 2-(4-prop-2-enylcyclohexyl)acetate
CID 89472943
ethyl 2-[4-(cyclopropanecarbonylamino)cyclohexyl]acetate
CID 121439164
ethyl N-(4-aminocyclohexyl)-N-methylcarbamate
CID 79121309

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[methyl(propanoyl)amino]cyclohexyl]acetate?
The IUPAC name of ethyl 2-[4-[methyl(propanoyl)amino]cyclohexyl]acetate (CID 121438943) is ethyl 2-[4-[methyl(propanoyl)amino]cyclohexyl]acetate.
What is the SMILES notation for ethyl 2-[4-[methyl(propanoyl)amino]cyclohexyl]acetate?
The canonical SMILES for ethyl 2-[4-[methyl(propanoyl)amino]cyclohexyl]acetate is CCOC(=O)CC1CCC(N(C)C(=O)CC)CC1.
What is the InChIKey of ethyl 2-[4-[methyl(propanoyl)amino]cyclohexyl]acetate?
The InChIKey is HZDINJVRKQCTBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-4-13(16)15(3)12-8-6-11(7-9-12)10-14(17)18-5-2/h11-12H,4-10H2,1-3H3.
What are the key properties of ethyl 2-[4-[methyl(propanoyl)amino]cyclohexyl]acetate?
ethyl 2-[4-[methyl(propanoyl)amino]cyclohexyl]acetate has a molecular weight of 255.36 g/mol, XLogP of 2.37, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[methyl(propanoyl)amino]cyclohexyl]acetate is sourced from PubChem (CID 121438943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).