N-(4-methyl-2-morpholin-4-ylpentyl)-2-pyrrolidin-2-ylacetamide

C16H31N3O2 — CID 61363910

IUPACN-(4-methyl-2-morpholin-4-ylpentyl)-2-pyrrolidin-2-ylacetamide
SMILESCC(C)CC(CNC(=O)CC1CCCN1)N1CCOCC1
InChIInChI=1S/C16H31N3O2/c1-13(2)10-15(19-6-8-21-9-7-19)12-18-16(20)11-14-4-3-5-17-14/h13-15,17H,3-12H2,1-2H3,(H,18,20)
InChIKeyPVRQQBHNGYBRQA-UHFFFAOYSA-N
MW297.44 g/mol
LogP0.99
Rot. Bonds7

About N-(4-methyl-2-morpholin-4-ylpentyl)-2-pyrrolidin-2-ylacetamide

N-(4-methyl-2-morpholin-4-ylpentyl)-2-pyrrolidin-2-ylacetamide (PubChem CID 61363910) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is N-(4-methyl-2-morpholin-4-ylpentyl)-2-pyrrolidin-2-ylacetamide.

Molecular Properties

Compound NameN-(4-methyl-2-morpholin-4-ylpentyl)-2-pyrrolidin-2-ylacetamide
PubChem CID61363910
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC NameN-(4-methyl-2-morpholin-4-ylpentyl)-2-pyrrolidin-2-ylacetamide
SMILESCC(C)CC(CNC(=O)CC1CCCN1)N1CCOCC1
InChIInChI=1S/C16H31N3O2/c1-13(2)10-15(19-6-8-21-9-7-19)12-18-16(20)11-14-4-3-5-17-14/h13-15,17H,3-12H2,1-2H3,(H,18,20)
InChIKeyPVRQQBHNGYBRQA-UHFFFAOYSA-N
XLogP0.99
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-2-morpholin-4-ylpentyl)-2-pyrrolidin-2-ylacetamide?
The IUPAC name of N-(4-methyl-2-morpholin-4-ylpentyl)-2-pyrrolidin-2-ylacetamide (CID 61363910) is N-(4-methyl-2-morpholin-4-ylpentyl)-2-pyrrolidin-2-ylacetamide.
What is the SMILES notation for N-(4-methyl-2-morpholin-4-ylpentyl)-2-pyrrolidin-2-ylacetamide?
The canonical SMILES for N-(4-methyl-2-morpholin-4-ylpentyl)-2-pyrrolidin-2-ylacetamide is CC(C)CC(CNC(=O)CC1CCCN1)N1CCOCC1.
What is the InChIKey of N-(4-methyl-2-morpholin-4-ylpentyl)-2-pyrrolidin-2-ylacetamide?
The InChIKey is PVRQQBHNGYBRQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-13(2)10-15(19-6-8-21-9-7-19)12-18-16(20)11-14-4-3-5-17-14/h13-15,17H,3-12H2,1-2H3,(H,18,20).
What are the key properties of N-(4-methyl-2-morpholin-4-ylpentyl)-2-pyrrolidin-2-ylacetamide?
N-(4-methyl-2-morpholin-4-ylpentyl)-2-pyrrolidin-2-ylacetamide has a molecular weight of 297.44 g/mol, XLogP of 0.99, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-2-morpholin-4-ylpentyl)-2-pyrrolidin-2-ylacetamide is sourced from PubChem (CID 61363910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).