N-(2-morpholin-4-ylethyl)-2-pyrrolidin-1-ylbenzamide

C17H25N3O2 — CID 168512683

IUPACN-(2-morpholin-4-ylethyl)-2-pyrrolidin-1-ylbenzamide
SMILESO=C(NCCN1CCOCC1)c1ccccc1N1CCCC1
InChIInChI=1S/C17H25N3O2/c21-17(18-7-10-19-11-13-22-14-12-19)15-5-1-2-6-16(15)20-8-3-4-9-20/h1-2,5-6H,3-4,7-14H2,(H,18,21)
InChIKeyZVCZVYACVAWQIF-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.35
Rot. Bonds5

About N-(2-morpholin-4-ylethyl)-2-pyrrolidin-1-ylbenzamide

N-(2-morpholin-4-ylethyl)-2-pyrrolidin-1-ylbenzamide (PubChem CID 168512683) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-2-pyrrolidin-1-ylbenzamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-2-pyrrolidin-1-ylbenzamide
PubChem CID168512683
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC NameN-(2-morpholin-4-ylethyl)-2-pyrrolidin-1-ylbenzamide
SMILESO=C(NCCN1CCOCC1)c1ccccc1N1CCCC1
InChIInChI=1S/C17H25N3O2/c21-17(18-7-10-19-11-13-22-14-12-19)15-5-1-2-6-16(15)20-8-3-4-9-20/h1-2,5-6H,3-4,7-14H2,(H,18,21)
InChIKeyZVCZVYACVAWQIF-UHFFFAOYSA-N
XLogP1.35
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-2-pyrrolidin-1-ylbenzamide?
The IUPAC name of N-(2-morpholin-4-ylethyl)-2-pyrrolidin-1-ylbenzamide (CID 168512683) is N-(2-morpholin-4-ylethyl)-2-pyrrolidin-1-ylbenzamide.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-2-pyrrolidin-1-ylbenzamide?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-2-pyrrolidin-1-ylbenzamide is O=C(NCCN1CCOCC1)c1ccccc1N1CCCC1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-2-pyrrolidin-1-ylbenzamide?
The InChIKey is ZVCZVYACVAWQIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c21-17(18-7-10-19-11-13-22-14-12-19)15-5-1-2-6-16(15)20-8-3-4-9-20/h1-2,5-6H,3-4,7-14H2,(H,18,21).
What are the key properties of N-(2-morpholin-4-ylethyl)-2-pyrrolidin-1-ylbenzamide?
N-(2-morpholin-4-ylethyl)-2-pyrrolidin-1-ylbenzamide has a molecular weight of 303.41 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-2-pyrrolidin-1-ylbenzamide is sourced from PubChem (CID 168512683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).