N-cyclohexyl-2-[3-(morpholine-4-carbonyl)pyrrolidin-1-yl]acetamide

C17H29N3O3 — CID 165434073

IUPACN-cyclohexyl-2-[3-(morpholine-4-carbonyl)pyrrolidin-1-yl]acetamide
SMILESO=C(CN1CCC(C(=O)N2CCOCC2)C1)NC1CCCCC1
InChIInChI=1S/C17H29N3O3/c21-16(18-15-4-2-1-3-5-15)13-19-7-6-14(12-19)17(22)20-8-10-23-11-9-20/h14-15H,1-13H2,(H,18,21)
InChIKeyJNPHYMHHWUMCQJ-UHFFFAOYSA-N
MW323.44 g/mol
LogP0.62
Rot. Bonds4

About N-cyclohexyl-2-[3-(morpholine-4-carbonyl)pyrrolidin-1-yl]acetamide

N-cyclohexyl-2-[3-(morpholine-4-carbonyl)pyrrolidin-1-yl]acetamide (PubChem CID 165434073) has the molecular formula C17H29N3O3 and a molecular weight of 323.44 g/mol. Its IUPAC name is N-cyclohexyl-2-[3-(morpholine-4-carbonyl)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[3-(morpholine-4-carbonyl)pyrrolidin-1-yl]acetamide
PubChem CID165434073
Molecular FormulaC17H29N3O3
Molecular Weight323.44 g/mol
Exact Mass323.22
IUPAC NameN-cyclohexyl-2-[3-(morpholine-4-carbonyl)pyrrolidin-1-yl]acetamide
SMILESO=C(CN1CCC(C(=O)N2CCOCC2)C1)NC1CCCCC1
InChIInChI=1S/C17H29N3O3/c21-16(18-15-4-2-1-3-5-15)13-19-7-6-14(12-19)17(22)20-8-10-23-11-9-20/h14-15H,1-13H2,(H,18,21)
InChIKeyJNPHYMHHWUMCQJ-UHFFFAOYSA-N
XLogP0.62
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[3-(morpholine-4-carbonyl)pyrrolidin-1-yl]acetamide?
The IUPAC name of N-cyclohexyl-2-[3-(morpholine-4-carbonyl)pyrrolidin-1-yl]acetamide (CID 165434073) is N-cyclohexyl-2-[3-(morpholine-4-carbonyl)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[3-(morpholine-4-carbonyl)pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-cyclohexyl-2-[3-(morpholine-4-carbonyl)pyrrolidin-1-yl]acetamide is O=C(CN1CCC(C(=O)N2CCOCC2)C1)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-[3-(morpholine-4-carbonyl)pyrrolidin-1-yl]acetamide?
The InChIKey is JNPHYMHHWUMCQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O3/c21-16(18-15-4-2-1-3-5-15)13-19-7-6-14(12-19)17(22)20-8-10-23-11-9-20/h14-15H,1-13H2,(H,18,21).
What are the key properties of N-cyclohexyl-2-[3-(morpholine-4-carbonyl)pyrrolidin-1-yl]acetamide?
N-cyclohexyl-2-[3-(morpholine-4-carbonyl)pyrrolidin-1-yl]acetamide has a molecular weight of 323.44 g/mol, XLogP of 0.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[3-(morpholine-4-carbonyl)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 165434073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).