ethyl 2-[4-(1-ethylcyclohexyl)morpholin-2-yl]acetate

C16H29NO3 — CID 177337713

IUPACethyl 2-[4-(1-ethylcyclohexyl)morpholin-2-yl]acetate
SMILESCCOC(=O)CC1CN(C2(CC)CCCCC2)CCO1
InChIInChI=1S/C16H29NO3/c1-3-16(8-6-5-7-9-16)17-10-11-20-14(13-17)12-15(18)19-4-2/h14H,3-13H2,1-2H3
InChIKeyNQQYIFCRYXZEKP-UHFFFAOYSA-N
MW283.41 g/mol
LogP2.75
Rot. Bonds5

About ethyl 2-[4-(1-ethylcyclohexyl)morpholin-2-yl]acetate

ethyl 2-[4-(1-ethylcyclohexyl)morpholin-2-yl]acetate (PubChem CID 177337713) has the molecular formula C16H29NO3 and a molecular weight of 283.41 g/mol. Its IUPAC name is ethyl 2-[4-(1-ethylcyclohexyl)morpholin-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-(1-ethylcyclohexyl)morpholin-2-yl]acetate
PubChem CID177337713
Molecular FormulaC16H29NO3
Molecular Weight283.41 g/mol
Exact Mass283.21
IUPAC Nameethyl 2-[4-(1-ethylcyclohexyl)morpholin-2-yl]acetate
SMILESCCOC(=O)CC1CN(C2(CC)CCCCC2)CCO1
InChIInChI=1S/C16H29NO3/c1-3-16(8-6-5-7-9-16)17-10-11-20-14(13-17)12-15(18)19-4-2/h14H,3-13H2,1-2H3
InChIKeyNQQYIFCRYXZEKP-UHFFFAOYSA-N
XLogP2.75
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(1-ethylcyclohexyl)morpholin-2-yl]acetate?
The IUPAC name of ethyl 2-[4-(1-ethylcyclohexyl)morpholin-2-yl]acetate (CID 177337713) is ethyl 2-[4-(1-ethylcyclohexyl)morpholin-2-yl]acetate.
What is the SMILES notation for ethyl 2-[4-(1-ethylcyclohexyl)morpholin-2-yl]acetate?
The canonical SMILES for ethyl 2-[4-(1-ethylcyclohexyl)morpholin-2-yl]acetate is CCOC(=O)CC1CN(C2(CC)CCCCC2)CCO1.
What is the InChIKey of ethyl 2-[4-(1-ethylcyclohexyl)morpholin-2-yl]acetate?
The InChIKey is NQQYIFCRYXZEKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO3/c1-3-16(8-6-5-7-9-16)17-10-11-20-14(13-17)12-15(18)19-4-2/h14H,3-13H2,1-2H3.
What are the key properties of ethyl 2-[4-(1-ethylcyclohexyl)morpholin-2-yl]acetate?
ethyl 2-[4-(1-ethylcyclohexyl)morpholin-2-yl]acetate has a molecular weight of 283.41 g/mol, XLogP of 2.75, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(1-ethylcyclohexyl)morpholin-2-yl]acetate is sourced from PubChem (CID 177337713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).