N-(1-cyano-1-cyclopropylethyl)-2-[2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]pyrrolidin-1-yl]acetamide

C18H30N4O2 — CID 111753190

IUPACN-(1-cyano-1-cyclopropylethyl)-2-[2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]pyrrolidin-1-yl]acetamide
SMILESCC(C#N)(NC(=O)CN1CCCC1CN1CCCC1CO)C1CC1
InChIInChI=1S/C18H30N4O2/c1-18(13-19,14-6-7-14)20-17(24)11-22-9-2-4-15(22)10-21-8-3-5-16(21)12-23/h14-16,23H,2-12H2,1H3,(H,20,24)
InChIKeyMOLUJZHMHCDFMR-UHFFFAOYSA-N
MW334.46 g/mol
LogP0.72
Rot. Bonds7

About N-(1-cyano-1-cyclopropylethyl)-2-[2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]pyrrolidin-1-yl]acetamide

N-(1-cyano-1-cyclopropylethyl)-2-[2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]pyrrolidin-1-yl]acetamide (PubChem CID 111753190) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is N-(1-cyano-1-cyclopropylethyl)-2-[2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(1-cyano-1-cyclopropylethyl)-2-[2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]pyrrolidin-1-yl]acetamide
PubChem CID111753190
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC NameN-(1-cyano-1-cyclopropylethyl)-2-[2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]pyrrolidin-1-yl]acetamide
SMILESCC(C#N)(NC(=O)CN1CCCC1CN1CCCC1CO)C1CC1
InChIInChI=1S/C18H30N4O2/c1-18(13-19,14-6-7-14)20-17(24)11-22-9-2-4-15(22)10-21-8-3-5-16(21)12-23/h14-16,23H,2-12H2,1H3,(H,20,24)
InChIKeyMOLUJZHMHCDFMR-UHFFFAOYSA-N
XLogP0.72
TPSA79.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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[1-[[1-(2-chloroprop-2-enyl)pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol
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N-(1-cyanocyclopentyl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(1-cyano-1-cyclopropylethyl)-2-[2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]pyrrolidin-1-yl]acetamide?
The IUPAC name of N-(1-cyano-1-cyclopropylethyl)-2-[2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]pyrrolidin-1-yl]acetamide (CID 111753190) is N-(1-cyano-1-cyclopropylethyl)-2-[2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-(1-cyano-1-cyclopropylethyl)-2-[2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-(1-cyano-1-cyclopropylethyl)-2-[2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]pyrrolidin-1-yl]acetamide is CC(C#N)(NC(=O)CN1CCCC1CN1CCCC1CO)C1CC1.
What is the InChIKey of N-(1-cyano-1-cyclopropylethyl)-2-[2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]pyrrolidin-1-yl]acetamide?
The InChIKey is MOLUJZHMHCDFMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O2/c1-18(13-19,14-6-7-14)20-17(24)11-22-9-2-4-15(22)10-21-8-3-5-16(21)12-23/h14-16,23H,2-12H2,1H3,(H,20,24).
What are the key properties of N-(1-cyano-1-cyclopropylethyl)-2-[2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]pyrrolidin-1-yl]acetamide?
N-(1-cyano-1-cyclopropylethyl)-2-[2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]pyrrolidin-1-yl]acetamide has a molecular weight of 334.46 g/mol, XLogP of 0.72, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyano-1-cyclopropylethyl)-2-[2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 111753190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).