N-(1-cyanocyclohexyl)-2-[3-(2-hydroxycyclopentyl)morpholin-4-yl]-N-methylacetamide

C19H31N3O3 — CID 128985750

IUPACN-(1-cyanocyclohexyl)-2-[3-(2-hydroxycyclopentyl)morpholin-4-yl]-N-methylacetamide
SMILESCN(C(=O)CN1CCOCC1C1CCCC1O)C1(C#N)CCCCC1
InChIInChI=1S/C19H31N3O3/c1-21(19(14-20)8-3-2-4-9-19)18(24)12-22-10-11-25-13-16(22)15-6-5-7-17(15)23/h15-17,23H,2-13H2,1H3
InChIKeyPNBBPOGONGPIGN-UHFFFAOYSA-N
MW349.48 g/mol
LogP1.53
Rot. Bonds4

About N-(1-cyanocyclohexyl)-2-[3-(2-hydroxycyclopentyl)morpholin-4-yl]-N-methylacetamide

N-(1-cyanocyclohexyl)-2-[3-(2-hydroxycyclopentyl)morpholin-4-yl]-N-methylacetamide (PubChem CID 128985750) has the molecular formula C19H31N3O3 and a molecular weight of 349.48 g/mol. Its IUPAC name is N-(1-cyanocyclohexyl)-2-[3-(2-hydroxycyclopentyl)morpholin-4-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-(1-cyanocyclohexyl)-2-[3-(2-hydroxycyclopentyl)morpholin-4-yl]-N-methylacetamide
PubChem CID128985750
Molecular FormulaC19H31N3O3
Molecular Weight349.48 g/mol
Exact Mass349.24
IUPAC NameN-(1-cyanocyclohexyl)-2-[3-(2-hydroxycyclopentyl)morpholin-4-yl]-N-methylacetamide
SMILESCN(C(=O)CN1CCOCC1C1CCCC1O)C1(C#N)CCCCC1
InChIInChI=1S/C19H31N3O3/c1-21(19(14-20)8-3-2-4-9-19)18(24)12-22-10-11-25-13-16(22)15-6-5-7-17(15)23/h15-17,23H,2-13H2,1H3
InChIKeyPNBBPOGONGPIGN-UHFFFAOYSA-N
XLogP1.53
TPSA76.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclohexyl)-2-[3-(2-hydroxycyclopentyl)morpholin-4-yl]-N-methylacetamide?
The IUPAC name of N-(1-cyanocyclohexyl)-2-[3-(2-hydroxycyclopentyl)morpholin-4-yl]-N-methylacetamide (CID 128985750) is N-(1-cyanocyclohexyl)-2-[3-(2-hydroxycyclopentyl)morpholin-4-yl]-N-methylacetamide.
What is the SMILES notation for N-(1-cyanocyclohexyl)-2-[3-(2-hydroxycyclopentyl)morpholin-4-yl]-N-methylacetamide?
The canonical SMILES for N-(1-cyanocyclohexyl)-2-[3-(2-hydroxycyclopentyl)morpholin-4-yl]-N-methylacetamide is CN(C(=O)CN1CCOCC1C1CCCC1O)C1(C#N)CCCCC1.
What is the InChIKey of N-(1-cyanocyclohexyl)-2-[3-(2-hydroxycyclopentyl)morpholin-4-yl]-N-methylacetamide?
The InChIKey is PNBBPOGONGPIGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O3/c1-21(19(14-20)8-3-2-4-9-19)18(24)12-22-10-11-25-13-16(22)15-6-5-7-17(15)23/h15-17,23H,2-13H2,1H3.
What are the key properties of N-(1-cyanocyclohexyl)-2-[3-(2-hydroxycyclopentyl)morpholin-4-yl]-N-methylacetamide?
N-(1-cyanocyclohexyl)-2-[3-(2-hydroxycyclopentyl)morpholin-4-yl]-N-methylacetamide has a molecular weight of 349.48 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclohexyl)-2-[3-(2-hydroxycyclopentyl)morpholin-4-yl]-N-methylacetamide is sourced from PubChem (CID 128985750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).