3-N-propan-2-ylmorpholine-3,4-dicarboxamide

C9H17N3O3 — CID 83106391

IUPAC3-N-propan-2-ylmorpholine-3,4-dicarboxamide
SMILESCC(C)NC(=O)C1COCCN1C(N)=O
InChIInChI=1S/C9H17N3O3/c1-6(2)11-8(13)7-5-15-4-3-12(7)9(10)14/h6-7H,3-5H2,1-2H3,(H2,10,14)(H,11,13)
InChIKeyNJEKUCNHGQADEJ-UHFFFAOYSA-N
MW215.25 g/mol
LogP-0.71
Rot. Bonds2

About 3-N-propan-2-ylmorpholine-3,4-dicarboxamide

3-N-propan-2-ylmorpholine-3,4-dicarboxamide (PubChem CID 83106391) has the molecular formula C9H17N3O3 and a molecular weight of 215.25 g/mol. Its IUPAC name is 3-N-propan-2-ylmorpholine-3,4-dicarboxamide.

Molecular Properties

Compound Name3-N-propan-2-ylmorpholine-3,4-dicarboxamide
PubChem CID83106391
Molecular FormulaC9H17N3O3
Molecular Weight215.25 g/mol
Exact Mass215.13
IUPAC Name3-N-propan-2-ylmorpholine-3,4-dicarboxamide
SMILESCC(C)NC(=O)C1COCCN1C(N)=O
InChIInChI=1S/C9H17N3O3/c1-6(2)11-8(13)7-5-15-4-3-12(7)9(10)14/h6-7H,3-5H2,1-2H3,(H2,10,14)(H,11,13)
InChIKeyNJEKUCNHGQADEJ-UHFFFAOYSA-N
XLogP-0.71
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
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

4-(3-amino-3-hydroxyimino-2-methylpropanoyl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83103841
4-(4-amino-1,2,5-oxadiazole-3-carbonyl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83097666
4-(2-cyanoacetyl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83099196
4-(3-chloro-2-methylpropanoyl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83107155
4-(azetidine-3-carbonyl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83098043
4-[(2S,3S)-2-amino-3-methylpentanoyl]-N-propan-2-ylmorpholine-3-carboxamide
CID 83097667
ethyl 4-oxo-4-[3-(propan-2-ylcarbamoyl)morpholin-4-yl]butanoate
CID 83098778
4-[(2S)-2-aminopentanoyl]-N-propan-2-ylmorpholine-3-carboxamide
CID 107570452
3-N-ethylmorpholine-3,4-dicarboxamide
CID 83106248
N,4-di(propan-2-yl)morpholine-3-carboxamide
CID 118118161
(3S)-N,4-di(propan-2-yl)morpholine-3-carboxamide
CID 140959044
4-[3-(methylamino)propanoyl]-N-propan-2-ylmorpholine-3-carboxamide
CID 83097073

Frequently Asked Questions

What is the IUPAC name of 3-N-propan-2-ylmorpholine-3,4-dicarboxamide?
The IUPAC name of 3-N-propan-2-ylmorpholine-3,4-dicarboxamide (CID 83106391) is 3-N-propan-2-ylmorpholine-3,4-dicarboxamide.
What is the SMILES notation for 3-N-propan-2-ylmorpholine-3,4-dicarboxamide?
The canonical SMILES for 3-N-propan-2-ylmorpholine-3,4-dicarboxamide is CC(C)NC(=O)C1COCCN1C(N)=O.
What is the InChIKey of 3-N-propan-2-ylmorpholine-3,4-dicarboxamide?
The InChIKey is NJEKUCNHGQADEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O3/c1-6(2)11-8(13)7-5-15-4-3-12(7)9(10)14/h6-7H,3-5H2,1-2H3,(H2,10,14)(H,11,13).
What are the key properties of 3-N-propan-2-ylmorpholine-3,4-dicarboxamide?
3-N-propan-2-ylmorpholine-3,4-dicarboxamide has a molecular weight of 215.25 g/mol, XLogP of -0.71, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-propan-2-ylmorpholine-3,4-dicarboxamide is sourced from PubChem (CID 83106391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).