N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]-2-pyrrolidin-2-ylacetamide

C18H27N3O2 — CID 119890419

IUPACN-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]-2-pyrrolidin-2-ylacetamide
SMILESCc1ccc(CN2CCOCC2)cc1NC(=O)CC1CCCN1
InChIInChI=1S/C18H27N3O2/c1-14-4-5-15(13-21-7-9-23-10-8-21)11-17(14)20-18(22)12-16-3-2-6-19-16/h4-5,11,16,19H,2-3,6-10,12-13H2,1H3,(H,20,22)
InChIKeyUOWMKXROOYHXML-UHFFFAOYSA-N
MW317.43 g/mol
LogP1.91
Rot. Bonds5

About N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]-2-pyrrolidin-2-ylacetamide

N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]-2-pyrrolidin-2-ylacetamide (PubChem CID 119890419) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]-2-pyrrolidin-2-ylacetamide.

Molecular Properties

Compound NameN-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]-2-pyrrolidin-2-ylacetamide
PubChem CID119890419
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC NameN-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]-2-pyrrolidin-2-ylacetamide
SMILESCc1ccc(CN2CCOCC2)cc1NC(=O)CC1CCCN1
InChIInChI=1S/C18H27N3O2/c1-14-4-5-15(13-21-7-9-23-10-8-21)11-17(14)20-18(22)12-16-3-2-6-19-16/h4-5,11,16,19H,2-3,6-10,12-13H2,1H3,(H,20,22)
InChIKeyUOWMKXROOYHXML-UHFFFAOYSA-N
XLogP1.91
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]-2-pyrrolidin-2-ylacetamide?
The IUPAC name of N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]-2-pyrrolidin-2-ylacetamide (CID 119890419) is N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]-2-pyrrolidin-2-ylacetamide.
What is the SMILES notation for N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]-2-pyrrolidin-2-ylacetamide?
The canonical SMILES for N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]-2-pyrrolidin-2-ylacetamide is Cc1ccc(CN2CCOCC2)cc1NC(=O)CC1CCCN1.
What is the InChIKey of N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]-2-pyrrolidin-2-ylacetamide?
The InChIKey is UOWMKXROOYHXML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-14-4-5-15(13-21-7-9-23-10-8-21)11-17(14)20-18(22)12-16-3-2-6-19-16/h4-5,11,16,19H,2-3,6-10,12-13H2,1H3,(H,20,22).
What are the key properties of N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]-2-pyrrolidin-2-ylacetamide?
N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]-2-pyrrolidin-2-ylacetamide has a molecular weight of 317.43 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]-2-pyrrolidin-2-ylacetamide is sourced from PubChem (CID 119890419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).