4-[2-(methylamino)propanoyl]-N-propylmorpholine-3-carboxamide

C12H23N3O3 — CID 83097059

IUPAC4-[2-(methylamino)propanoyl]-N-propylmorpholine-3-carboxamide
SMILESCCCNC(=O)C1COCCN1C(=O)C(C)NC
InChIInChI=1S/C12H23N3O3/c1-4-5-14-11(16)10-8-18-7-6-15(10)12(17)9(2)13-3/h9-10,13H,4-8H2,1-3H3,(H,14,16)
InChIKeyWJXCABOGLYJNEQ-UHFFFAOYSA-N
MW257.33 g/mol
LogP-0.65
Rot. Bonds5

About 4-[2-(methylamino)propanoyl]-N-propylmorpholine-3-carboxamide

4-[2-(methylamino)propanoyl]-N-propylmorpholine-3-carboxamide (PubChem CID 83097059) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is 4-[2-(methylamino)propanoyl]-N-propylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-[2-(methylamino)propanoyl]-N-propylmorpholine-3-carboxamide
PubChem CID83097059
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC Name4-[2-(methylamino)propanoyl]-N-propylmorpholine-3-carboxamide
SMILESCCCNC(=O)C1COCCN1C(=O)C(C)NC
InChIInChI=1S/C12H23N3O3/c1-4-5-14-11(16)10-8-18-7-6-15(10)12(17)9(2)13-3/h9-10,13H,4-8H2,1-3H3,(H,14,16)
InChIKeyWJXCABOGLYJNEQ-UHFFFAOYSA-N
XLogP-0.65
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-bromo-3-methylbutanoyl)-N-propylmorpholine-3-carboxamide
CID 83106243
3-N-propylmorpholine-3,4-dicarboxamide
CID 83106321
N-cyclopropyl-4-[2-(methylamino)propanoyl]morpholine-3-carboxamide
CID 83097661
4-N-butyl-3-N-propylmorpholine-3,4-dicarboxamide
CID 116657442
2-[methyl-[3-(propylcarbamoyl)morpholine-4-carbonyl]amino]acetic acid
CID 83103120
4-(3-aminopropanoyl)-N-propylmorpholine-3-carboxamide
CID 83106811
4-[4-(methylamino)oxolane-3-carbonyl]-N-propylmorpholine-3-carboxamide
CID 83098017
4-(3-oxobutan-2-yl)-N-propylmorpholine-3-carboxamide
CID 83103248
4-[2-(cyanomethylamino)-2-oxoacetyl]-N-propylmorpholine-3-carboxamide
CID 83097670
(2S)-3-hydroxy-2-[[3-(propylcarbamoyl)morpholine-4-carbonyl]amino]propanoic acid
CID 83104546
2-methyl-2-[[3-(propylcarbamoyl)morpholine-4-carbonyl]amino]propanoic acid
CID 83104560
4-(1-cyanocyclopentanecarbonyl)-N-propylmorpholine-3-carboxamide
CID 83096887

Frequently Asked Questions

What is the IUPAC name of 4-[2-(methylamino)propanoyl]-N-propylmorpholine-3-carboxamide?
The IUPAC name of 4-[2-(methylamino)propanoyl]-N-propylmorpholine-3-carboxamide (CID 83097059) is 4-[2-(methylamino)propanoyl]-N-propylmorpholine-3-carboxamide.
What is the SMILES notation for 4-[2-(methylamino)propanoyl]-N-propylmorpholine-3-carboxamide?
The canonical SMILES for 4-[2-(methylamino)propanoyl]-N-propylmorpholine-3-carboxamide is CCCNC(=O)C1COCCN1C(=O)C(C)NC.
What is the InChIKey of 4-[2-(methylamino)propanoyl]-N-propylmorpholine-3-carboxamide?
The InChIKey is WJXCABOGLYJNEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-4-5-14-11(16)10-8-18-7-6-15(10)12(17)9(2)13-3/h9-10,13H,4-8H2,1-3H3,(H,14,16).
What are the key properties of 4-[2-(methylamino)propanoyl]-N-propylmorpholine-3-carboxamide?
4-[2-(methylamino)propanoyl]-N-propylmorpholine-3-carboxamide has a molecular weight of 257.33 g/mol, XLogP of -0.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(methylamino)propanoyl]-N-propylmorpholine-3-carboxamide is sourced from PubChem (CID 83097059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).