N-ethyl-2-(3-methoxycyclohexyl)oxy-N-(thiolan-2-ylmethyl)acetamide

C16H29NO3S — CID 140621968

IUPACN-ethyl-2-(3-methoxycyclohexyl)oxy-N-(thiolan-2-ylmethyl)acetamide
SMILESCCN(CC1CCCS1)C(=O)COC1CCCC(OC)C1
InChIInChI=1S/C16H29NO3S/c1-3-17(11-15-8-5-9-21-15)16(18)12-20-14-7-4-6-13(10-14)19-2/h13-15H,3-12H2,1-2H3
InChIKeyDAMAIVZMDRAXCA-UHFFFAOYSA-N
MW315.48 g/mol
LogP2.70
Rot. Bonds7

About N-ethyl-2-(3-methoxycyclohexyl)oxy-N-(thiolan-2-ylmethyl)acetamide

N-ethyl-2-(3-methoxycyclohexyl)oxy-N-(thiolan-2-ylmethyl)acetamide (PubChem CID 140621968) has the molecular formula C16H29NO3S and a molecular weight of 315.48 g/mol. Its IUPAC name is N-ethyl-2-(3-methoxycyclohexyl)oxy-N-(thiolan-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-ethyl-2-(3-methoxycyclohexyl)oxy-N-(thiolan-2-ylmethyl)acetamide
PubChem CID140621968
Molecular FormulaC16H29NO3S
Molecular Weight315.48 g/mol
Exact Mass315.19
IUPAC NameN-ethyl-2-(3-methoxycyclohexyl)oxy-N-(thiolan-2-ylmethyl)acetamide
SMILESCCN(CC1CCCS1)C(=O)COC1CCCC(OC)C1
InChIInChI=1S/C16H29NO3S/c1-3-17(11-15-8-5-9-21-15)16(18)12-20-14-7-4-6-13(10-14)19-2/h13-15H,3-12H2,1-2H3
InChIKeyDAMAIVZMDRAXCA-UHFFFAOYSA-N
XLogP2.70
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.48
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-(4-fluorocyclohexyl)oxy-N-(thiolan-2-ylmethyl)acetamide
CID 140621981
N-ethyl-2-(3-fluorocyclohexyl)oxy-N-(thiolan-2-ylmethyl)acetamide
CID 140622100
N-ethyl-2-(2-fluorocyclohexyl)oxy-N-(thiolan-2-ylmethyl)acetamide
CID 140622114
N-cyclohexyl-2-cyclohexyloxy-N-(thiolan-2-ylmethyl)acetamide
CID 90228202
N-ethyl-2-(4-methoxycyclohexyl)oxy-N-(thiolan-2-ylmethyl)acetamide
CID 140621964
2-cyclohexyloxy-N-ethyl-N-(thiolan-2-ylmethyl)acetamide
CID 140621998
N-cyclohexyl-2-(3-methoxycyclohexyl)oxy-N-(thiolan-2-ylmethyl)acetamide
CID 140622037

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(3-methoxycyclohexyl)oxy-N-(thiolan-2-ylmethyl)acetamide?
The IUPAC name of N-ethyl-2-(3-methoxycyclohexyl)oxy-N-(thiolan-2-ylmethyl)acetamide (CID 140621968) is N-ethyl-2-(3-methoxycyclohexyl)oxy-N-(thiolan-2-ylmethyl)acetamide.
What is the SMILES notation for N-ethyl-2-(3-methoxycyclohexyl)oxy-N-(thiolan-2-ylmethyl)acetamide?
The canonical SMILES for N-ethyl-2-(3-methoxycyclohexyl)oxy-N-(thiolan-2-ylmethyl)acetamide is CCN(CC1CCCS1)C(=O)COC1CCCC(OC)C1.
What is the InChIKey of N-ethyl-2-(3-methoxycyclohexyl)oxy-N-(thiolan-2-ylmethyl)acetamide?
The InChIKey is DAMAIVZMDRAXCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO3S/c1-3-17(11-15-8-5-9-21-15)16(18)12-20-14-7-4-6-13(10-14)19-2/h13-15H,3-12H2,1-2H3.
What are the key properties of N-ethyl-2-(3-methoxycyclohexyl)oxy-N-(thiolan-2-ylmethyl)acetamide?
N-ethyl-2-(3-methoxycyclohexyl)oxy-N-(thiolan-2-ylmethyl)acetamide has a molecular weight of 315.48 g/mol, XLogP of 2.70, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(3-methoxycyclohexyl)oxy-N-(thiolan-2-ylmethyl)acetamide is sourced from PubChem (CID 140621968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).