N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-5-methyloxolane-3-carboxamide

C15H27NO3 — CID 114826219

IUPACN-[(4-ethyl-1-hydroxycyclohexyl)methyl]-5-methyloxolane-3-carboxamide
SMILESCCC1CCC(O)(CNC(=O)C2COC(C)C2)CC1
InChIInChI=1S/C15H27NO3/c1-3-12-4-6-15(18,7-5-12)10-16-14(17)13-8-11(2)19-9-13/h11-13,18H,3-10H2,1-2H3,(H,16,17)
InChIKeyKGFKHSZXSTYUJT-UHFFFAOYSA-N
MW269.38 g/mol
LogP1.86
Rot. Bonds4

About N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-5-methyloxolane-3-carboxamide

N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-5-methyloxolane-3-carboxamide (PubChem CID 114826219) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-5-methyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-[(4-ethyl-1-hydroxycyclohexyl)methyl]-5-methyloxolane-3-carboxamide
PubChem CID114826219
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC NameN-[(4-ethyl-1-hydroxycyclohexyl)methyl]-5-methyloxolane-3-carboxamide
SMILESCCC1CCC(O)(CNC(=O)C2COC(C)C2)CC1
InChIInChI=1S/C15H27NO3/c1-3-12-4-6-15(18,7-5-12)10-16-14(17)13-8-11(2)19-9-13/h11-13,18H,3-10H2,1-2H3,(H,16,17)
InChIKeyKGFKHSZXSTYUJT-UHFFFAOYSA-N
XLogP1.86
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-ethyl-1-hydroxycyclohexyl)methyl]cyclopentanecarboxamide
CID 65121763
N-[(3-chlorocyclopentyl)methyl]-5-methyloxolane-3-carboxamide
CID 106127038
N-[(1-hydroxy-4-methylcyclohexyl)methyl]cyclopropanecarboxamide
CID 65119591
N-but-2-ynyl-5-methyloxolane-3-carboxamide
CID 126992947
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-methylpropanamide
CID 65124264
N-[(3-aminocyclohexyl)methyl]-5-methyloxolane-3-carboxamide
CID 114146486
N-[[2-(chloromethyl)cyclopentyl]methyl]-5-methyloxolane-3-carboxamide
CID 114823255
1-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-methylguanidine
CID 65123888
4-[(4-ethyl-1-hydroxycyclohexyl)methylamino]-4-oxobutanoic acid
CID 65117218
2-(cyclopentylamino)-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]acetamide
CID 65120006
N-(2-aminobutyl)-5-methyloxolane-3-carboxamide
CID 114823568
N-(2,2-diethoxyethyl)-5-methyloxolane-3-carboxamide
CID 114825656

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-5-methyloxolane-3-carboxamide?
The IUPAC name of N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-5-methyloxolane-3-carboxamide (CID 114826219) is N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-5-methyloxolane-3-carboxamide.
What is the SMILES notation for N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-5-methyloxolane-3-carboxamide?
The canonical SMILES for N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-5-methyloxolane-3-carboxamide is CCC1CCC(O)(CNC(=O)C2COC(C)C2)CC1.
What is the InChIKey of N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-5-methyloxolane-3-carboxamide?
The InChIKey is KGFKHSZXSTYUJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-3-12-4-6-15(18,7-5-12)10-16-14(17)13-8-11(2)19-9-13/h11-13,18H,3-10H2,1-2H3,(H,16,17).
What are the key properties of N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-5-methyloxolane-3-carboxamide?
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-5-methyloxolane-3-carboxamide has a molecular weight of 269.38 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-5-methyloxolane-3-carboxamide is sourced from PubChem (CID 114826219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).