4-[2-(2-aminoethoxy)acetyl]-N-propylmorpholine-3-carboxamide

C12H23N3O4 — CID 83098648

IUPAC4-[2-(2-aminoethoxy)acetyl]-N-propylmorpholine-3-carboxamide
SMILESCCCNC(=O)C1COCCN1C(=O)COCCN
InChIInChI=1S/C12H23N3O4/c1-2-4-14-12(17)10-8-19-7-5-15(10)11(16)9-18-6-3-13/h10H,2-9,13H2,1H3,(H,14,17)
InChIKeyVBOMIVUGCHCYOR-UHFFFAOYSA-N
MW273.33 g/mol
LogP-1.28
Rot. Bonds7

About 4-[2-(2-aminoethoxy)acetyl]-N-propylmorpholine-3-carboxamide

4-[2-(2-aminoethoxy)acetyl]-N-propylmorpholine-3-carboxamide (PubChem CID 83098648) has the molecular formula C12H23N3O4 and a molecular weight of 273.33 g/mol. Its IUPAC name is 4-[2-(2-aminoethoxy)acetyl]-N-propylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-[2-(2-aminoethoxy)acetyl]-N-propylmorpholine-3-carboxamide
PubChem CID83098648
Molecular FormulaC12H23N3O4
Molecular Weight273.33 g/mol
Exact Mass273.17
IUPAC Name4-[2-(2-aminoethoxy)acetyl]-N-propylmorpholine-3-carboxamide
SMILESCCCNC(=O)C1COCCN1C(=O)COCCN
InChIInChI=1S/C12H23N3O4/c1-2-4-14-12(17)10-8-19-7-5-15(10)11(16)9-18-6-3-13/h10H,2-9,13H2,1H3,(H,14,17)
InChIKeyVBOMIVUGCHCYOR-UHFFFAOYSA-N
XLogP-1.28
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 5-1.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(3-aminopropanoyl)-N-propylmorpholine-3-carboxamide
CID 83106811
3-N-propylmorpholine-3,4-dicarboxamide
CID 83106321
4-[2-[1-(aminomethyl)cyclobutyl]acetyl]-N-propylmorpholine-3-carboxamide
CID 83099020
4-N-butyl-3-N-propylmorpholine-3,4-dicarboxamide
CID 116657442
2-[methyl-[3-(propylcarbamoyl)morpholine-4-carbonyl]amino]acetic acid
CID 83103120
4-[2-(methylamino)propanoyl]-N-propylmorpholine-3-carboxamide
CID 83097059
N-ethyl-4-[2-[(2-methylpropan-2-yl)oxy]acetyl]morpholine-3-carboxamide
CID 112605644
N-ethyl-4-[3-(ethylamino)propanoyl]morpholine-3-carboxamide
CID 83099263
4-[2-(cyanomethylamino)-2-oxoacetyl]-N-propylmorpholine-3-carboxamide
CID 83097670
4-(2-bromo-3-methylbutanoyl)-N-propylmorpholine-3-carboxamide
CID 83106243
4-[2-(2-aminoethylamino)-2-oxoethyl]-N-propylmorpholine-3-carboxamide
CID 83106517
4-butanoyl-N-methylmorpholine-3-carboxamide
CID 83104060

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-aminoethoxy)acetyl]-N-propylmorpholine-3-carboxamide?
The IUPAC name of 4-[2-(2-aminoethoxy)acetyl]-N-propylmorpholine-3-carboxamide (CID 83098648) is 4-[2-(2-aminoethoxy)acetyl]-N-propylmorpholine-3-carboxamide.
What is the SMILES notation for 4-[2-(2-aminoethoxy)acetyl]-N-propylmorpholine-3-carboxamide?
The canonical SMILES for 4-[2-(2-aminoethoxy)acetyl]-N-propylmorpholine-3-carboxamide is CCCNC(=O)C1COCCN1C(=O)COCCN.
What is the InChIKey of 4-[2-(2-aminoethoxy)acetyl]-N-propylmorpholine-3-carboxamide?
The InChIKey is VBOMIVUGCHCYOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O4/c1-2-4-14-12(17)10-8-19-7-5-15(10)11(16)9-18-6-3-13/h10H,2-9,13H2,1H3,(H,14,17).
What are the key properties of 4-[2-(2-aminoethoxy)acetyl]-N-propylmorpholine-3-carboxamide?
4-[2-(2-aminoethoxy)acetyl]-N-propylmorpholine-3-carboxamide has a molecular weight of 273.33 g/mol, XLogP of -1.28, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-aminoethoxy)acetyl]-N-propylmorpholine-3-carboxamide is sourced from PubChem (CID 83098648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).