4-[2-(3-aminocyclohexyl)propanoyl]-N-methylmorpholine-3-carboxamide

C15H27N3O3 — CID 106593033

IUPAC4-[2-(3-aminocyclohexyl)propanoyl]-N-methylmorpholine-3-carboxamide
SMILESCNC(=O)C1COCCN1C(=O)C(C)C1CCCC(N)C1
InChIInChI=1S/C15H27N3O3/c1-10(11-4-3-5-12(16)8-11)15(20)18-6-7-21-9-13(18)14(19)17-2/h10-13H,3-9,16H2,1-2H3,(H,17,19)
InChIKeyJUUGADRRDYBWCQ-UHFFFAOYSA-N
MW297.40 g/mol
LogP0.11
Rot. Bonds3

About 4-[2-(3-aminocyclohexyl)propanoyl]-N-methylmorpholine-3-carboxamide

4-[2-(3-aminocyclohexyl)propanoyl]-N-methylmorpholine-3-carboxamide (PubChem CID 106593033) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is 4-[2-(3-aminocyclohexyl)propanoyl]-N-methylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-[2-(3-aminocyclohexyl)propanoyl]-N-methylmorpholine-3-carboxamide
PubChem CID106593033
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Name4-[2-(3-aminocyclohexyl)propanoyl]-N-methylmorpholine-3-carboxamide
SMILESCNC(=O)C1COCCN1C(=O)C(C)C1CCCC(N)C1
InChIInChI=1S/C15H27N3O3/c1-10(11-4-3-5-12(16)8-11)15(20)18-6-7-21-9-13(18)14(19)17-2/h10-13H,3-9,16H2,1-2H3,(H,17,19)
InChIKeyJUUGADRRDYBWCQ-UHFFFAOYSA-N
XLogP0.11
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-aminocyclohexyl)propanoyl]-N-methylmorpholine-3-carboxamide?
The IUPAC name of 4-[2-(3-aminocyclohexyl)propanoyl]-N-methylmorpholine-3-carboxamide (CID 106593033) is 4-[2-(3-aminocyclohexyl)propanoyl]-N-methylmorpholine-3-carboxamide.
What is the SMILES notation for 4-[2-(3-aminocyclohexyl)propanoyl]-N-methylmorpholine-3-carboxamide?
The canonical SMILES for 4-[2-(3-aminocyclohexyl)propanoyl]-N-methylmorpholine-3-carboxamide is CNC(=O)C1COCCN1C(=O)C(C)C1CCCC(N)C1.
What is the InChIKey of 4-[2-(3-aminocyclohexyl)propanoyl]-N-methylmorpholine-3-carboxamide?
The InChIKey is JUUGADRRDYBWCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-10(11-4-3-5-12(16)8-11)15(20)18-6-7-21-9-13(18)14(19)17-2/h10-13H,3-9,16H2,1-2H3,(H,17,19).
What are the key properties of 4-[2-(3-aminocyclohexyl)propanoyl]-N-methylmorpholine-3-carboxamide?
4-[2-(3-aminocyclohexyl)propanoyl]-N-methylmorpholine-3-carboxamide has a molecular weight of 297.40 g/mol, XLogP of 0.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-aminocyclohexyl)propanoyl]-N-methylmorpholine-3-carboxamide is sourced from PubChem (CID 106593033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).