3-N-propylmorpholine-3,4-dicarboxamide

C9H17N3O3 — CID 83106321

IUPAC3-N-propylmorpholine-3,4-dicarboxamide
SMILESCCCNC(=O)C1COCCN1C(N)=O
InChIInChI=1S/C9H17N3O3/c1-2-3-11-8(13)7-6-15-5-4-12(7)9(10)14/h7H,2-6H2,1H3,(H2,10,14)(H,11,13)
InChIKeyGOEYWRDZCCSKOX-UHFFFAOYSA-N
MW215.25 g/mol
LogP-0.71
Rot. Bonds3

About 3-N-propylmorpholine-3,4-dicarboxamide

3-N-propylmorpholine-3,4-dicarboxamide (PubChem CID 83106321) has the molecular formula C9H17N3O3 and a molecular weight of 215.25 g/mol. Its IUPAC name is 3-N-propylmorpholine-3,4-dicarboxamide.

Molecular Properties

Compound Name3-N-propylmorpholine-3,4-dicarboxamide
PubChem CID83106321
Molecular FormulaC9H17N3O3
Molecular Weight215.25 g/mol
Exact Mass215.13
IUPAC Name3-N-propylmorpholine-3,4-dicarboxamide
SMILESCCCNC(=O)C1COCCN1C(N)=O
InChIInChI=1S/C9H17N3O3/c1-2-3-11-8(13)7-6-15-5-4-12(7)9(10)14/h7H,2-6H2,1H3,(H2,10,14)(H,11,13)
InChIKeyGOEYWRDZCCSKOX-UHFFFAOYSA-N
XLogP-0.71
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-ethylmorpholine-3,4-dicarboxamide
CID 83106248
4-(3-aminopropanoyl)-N-propylmorpholine-3-carboxamide
CID 83106811
4-N-butyl-3-N-propylmorpholine-3,4-dicarboxamide
CID 116657442
4-[2-(methylamino)propanoyl]-N-propylmorpholine-3-carboxamide
CID 83097059
4-[2-(2-aminoethoxy)acetyl]-N-propylmorpholine-3-carboxamide
CID 83098648
2-[methyl-[3-(propylcarbamoyl)morpholine-4-carbonyl]amino]acetic acid
CID 83103120
4-[2-(cyanomethylamino)-2-oxoacetyl]-N-propylmorpholine-3-carboxamide
CID 83097670
4-(2-bromo-3-methylbutanoyl)-N-propylmorpholine-3-carboxamide
CID 83106243
4-ethylsulfonyl-N-propylmorpholine-3-carboxamide
CID 83105676
2-methyl-2-[[3-(propylcarbamoyl)morpholine-4-carbonyl]amino]propanoic acid
CID 83104560
4-[4-(methylamino)oxolane-3-carbonyl]-N-propylmorpholine-3-carboxamide
CID 83098017
4-[2-[1-(aminomethyl)cyclobutyl]acetyl]-N-propylmorpholine-3-carboxamide
CID 83099020

Frequently Asked Questions

What is the IUPAC name of 3-N-propylmorpholine-3,4-dicarboxamide?
The IUPAC name of 3-N-propylmorpholine-3,4-dicarboxamide (CID 83106321) is 3-N-propylmorpholine-3,4-dicarboxamide.
What is the SMILES notation for 3-N-propylmorpholine-3,4-dicarboxamide?
The canonical SMILES for 3-N-propylmorpholine-3,4-dicarboxamide is CCCNC(=O)C1COCCN1C(N)=O.
What is the InChIKey of 3-N-propylmorpholine-3,4-dicarboxamide?
The InChIKey is GOEYWRDZCCSKOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O3/c1-2-3-11-8(13)7-6-15-5-4-12(7)9(10)14/h7H,2-6H2,1H3,(H2,10,14)(H,11,13).
What are the key properties of 3-N-propylmorpholine-3,4-dicarboxamide?
3-N-propylmorpholine-3,4-dicarboxamide has a molecular weight of 215.25 g/mol, XLogP of -0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-propylmorpholine-3,4-dicarboxamide is sourced from PubChem (CID 83106321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).