N-(3-ethyl-2-hydroxypentyl)-2-[1-(methylamino)cyclohexyl]acetamide

C16H32N2O2 — CID 106286627

IUPACN-(3-ethyl-2-hydroxypentyl)-2-[1-(methylamino)cyclohexyl]acetamide
SMILESCCC(CC)C(O)CNC(=O)CC1(NC)CCCCC1
InChIInChI=1S/C16H32N2O2/c1-4-13(5-2)14(19)12-18-15(20)11-16(17-3)9-7-6-8-10-16/h13-14,17,19H,4-12H2,1-3H3,(H,18,20)
InChIKeyZTOJYBXOJUXUQL-UHFFFAOYSA-N
MW284.44 g/mol
LogP2.21
Rot. Bonds8

About N-(3-ethyl-2-hydroxypentyl)-2-[1-(methylamino)cyclohexyl]acetamide

N-(3-ethyl-2-hydroxypentyl)-2-[1-(methylamino)cyclohexyl]acetamide (PubChem CID 106286627) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is N-(3-ethyl-2-hydroxypentyl)-2-[1-(methylamino)cyclohexyl]acetamide.

Molecular Properties

Compound NameN-(3-ethyl-2-hydroxypentyl)-2-[1-(methylamino)cyclohexyl]acetamide
PubChem CID106286627
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC NameN-(3-ethyl-2-hydroxypentyl)-2-[1-(methylamino)cyclohexyl]acetamide
SMILESCCC(CC)C(O)CNC(=O)CC1(NC)CCCCC1
InChIInChI=1S/C16H32N2O2/c1-4-13(5-2)14(19)12-18-15(20)11-16(17-3)9-7-6-8-10-16/h13-14,17,19H,4-12H2,1-3H3,(H,18,20)
InChIKeyZTOJYBXOJUXUQL-UHFFFAOYSA-N
XLogP2.21
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-2-hydroxypentyl)-2-[1-(methylamino)cyclohexyl]acetamide?
The IUPAC name of N-(3-ethyl-2-hydroxypentyl)-2-[1-(methylamino)cyclohexyl]acetamide (CID 106286627) is N-(3-ethyl-2-hydroxypentyl)-2-[1-(methylamino)cyclohexyl]acetamide.
What is the SMILES notation for N-(3-ethyl-2-hydroxypentyl)-2-[1-(methylamino)cyclohexyl]acetamide?
The canonical SMILES for N-(3-ethyl-2-hydroxypentyl)-2-[1-(methylamino)cyclohexyl]acetamide is CCC(CC)C(O)CNC(=O)CC1(NC)CCCCC1.
What is the InChIKey of N-(3-ethyl-2-hydroxypentyl)-2-[1-(methylamino)cyclohexyl]acetamide?
The InChIKey is ZTOJYBXOJUXUQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-4-13(5-2)14(19)12-18-15(20)11-16(17-3)9-7-6-8-10-16/h13-14,17,19H,4-12H2,1-3H3,(H,18,20).
What are the key properties of N-(3-ethyl-2-hydroxypentyl)-2-[1-(methylamino)cyclohexyl]acetamide?
N-(3-ethyl-2-hydroxypentyl)-2-[1-(methylamino)cyclohexyl]acetamide has a molecular weight of 284.44 g/mol, XLogP of 2.21, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-2-hydroxypentyl)-2-[1-(methylamino)cyclohexyl]acetamide is sourced from PubChem (CID 106286627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).