N-(1-cyanocyclohexyl)-2-[2-(4-hydroxyoxan-3-yl)pyrrolidin-1-yl]acetamide

C18H29N3O3 — CID 154755655

IUPACN-(1-cyanocyclohexyl)-2-[2-(4-hydroxyoxan-3-yl)pyrrolidin-1-yl]acetamide
SMILESN#CC1(NC(=O)CN2CCCC2C2COCCC2O)CCCCC1
InChIInChI=1S/C18H29N3O3/c19-13-18(7-2-1-3-8-18)20-17(23)11-21-9-4-5-15(21)14-12-24-10-6-16(14)22/h14-16,22H,1-12H2,(H,20,23)
InChIKeyVCDYVVPYKWTQJJ-UHFFFAOYSA-N
MW335.45 g/mol
LogP1.19
Rot. Bonds4

About N-(1-cyanocyclohexyl)-2-[2-(4-hydroxyoxan-3-yl)pyrrolidin-1-yl]acetamide

N-(1-cyanocyclohexyl)-2-[2-(4-hydroxyoxan-3-yl)pyrrolidin-1-yl]acetamide (PubChem CID 154755655) has the molecular formula C18H29N3O3 and a molecular weight of 335.45 g/mol. Its IUPAC name is N-(1-cyanocyclohexyl)-2-[2-(4-hydroxyoxan-3-yl)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(1-cyanocyclohexyl)-2-[2-(4-hydroxyoxan-3-yl)pyrrolidin-1-yl]acetamide
PubChem CID154755655
Molecular FormulaC18H29N3O3
Molecular Weight335.45 g/mol
Exact Mass335.22
IUPAC NameN-(1-cyanocyclohexyl)-2-[2-(4-hydroxyoxan-3-yl)pyrrolidin-1-yl]acetamide
SMILESN#CC1(NC(=O)CN2CCCC2C2COCCC2O)CCCCC1
InChIInChI=1S/C18H29N3O3/c19-13-18(7-2-1-3-8-18)20-17(23)11-21-9-4-5-15(21)14-12-24-10-6-16(14)22/h14-16,22H,1-12H2,(H,20,23)
InChIKeyVCDYVVPYKWTQJJ-UHFFFAOYSA-N
XLogP1.19
TPSA85.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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N-(1-cyanocyclopentyl)-2-[2-(4-fluorophenyl)pyrrolidin-1-yl]acetamide
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N-(1-cyanocyclohexyl)-2-[(3S)-3-hydroxypiperidin-1-yl]acetamide
CID 51980802
N-(1-cyanocyclohexyl)-2-[2-(1-hydroxyethyl)piperidin-1-yl]acetamide
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1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(2R)-2-[(3S,4S)-4-hydroxyoxan-3-yl]pyrrolidin-1-yl]ethanone
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CID 129323248
2-[(2R)-2-[(1R,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-N-(oxan-4-yl)acetamide
CID 129323249
N-(1-cyanocyclopentyl)-2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetamide
CID 8833510
N-(1-cyanocyclohexyl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclohexyl)-2-[2-(4-hydroxyoxan-3-yl)pyrrolidin-1-yl]acetamide?
The IUPAC name of N-(1-cyanocyclohexyl)-2-[2-(4-hydroxyoxan-3-yl)pyrrolidin-1-yl]acetamide (CID 154755655) is N-(1-cyanocyclohexyl)-2-[2-(4-hydroxyoxan-3-yl)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-(1-cyanocyclohexyl)-2-[2-(4-hydroxyoxan-3-yl)pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-(1-cyanocyclohexyl)-2-[2-(4-hydroxyoxan-3-yl)pyrrolidin-1-yl]acetamide is N#CC1(NC(=O)CN2CCCC2C2COCCC2O)CCCCC1.
What is the InChIKey of N-(1-cyanocyclohexyl)-2-[2-(4-hydroxyoxan-3-yl)pyrrolidin-1-yl]acetamide?
The InChIKey is VCDYVVPYKWTQJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3/c19-13-18(7-2-1-3-8-18)20-17(23)11-21-9-4-5-15(21)14-12-24-10-6-16(14)22/h14-16,22H,1-12H2,(H,20,23).
What are the key properties of N-(1-cyanocyclohexyl)-2-[2-(4-hydroxyoxan-3-yl)pyrrolidin-1-yl]acetamide?
N-(1-cyanocyclohexyl)-2-[2-(4-hydroxyoxan-3-yl)pyrrolidin-1-yl]acetamide has a molecular weight of 335.45 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclohexyl)-2-[2-(4-hydroxyoxan-3-yl)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 154755655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).