N-ethyl-4-[3-(ethylamino)propanoyl]morpholine-3-carboxamide

C12H23N3O3 — CID 83099263

IUPACN-ethyl-4-[3-(ethylamino)propanoyl]morpholine-3-carboxamide
SMILESCCNCCC(=O)N1CCOCC1C(=O)NCC
InChIInChI=1S/C12H23N3O3/c1-3-13-6-5-11(16)15-7-8-18-9-10(15)12(17)14-4-2/h10,13H,3-9H2,1-2H3,(H,14,17)
InChIKeyZZBVXYRAUCFKGS-UHFFFAOYSA-N
MW257.33 g/mol
LogP-0.65
Rot. Bonds6

About N-ethyl-4-[3-(ethylamino)propanoyl]morpholine-3-carboxamide

N-ethyl-4-[3-(ethylamino)propanoyl]morpholine-3-carboxamide (PubChem CID 83099263) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is N-ethyl-4-[3-(ethylamino)propanoyl]morpholine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-[3-(ethylamino)propanoyl]morpholine-3-carboxamide
PubChem CID83099263
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC NameN-ethyl-4-[3-(ethylamino)propanoyl]morpholine-3-carboxamide
SMILESCCNCCC(=O)N1CCOCC1C(=O)NCC
InChIInChI=1S/C12H23N3O3/c1-3-13-6-5-11(16)15-7-8-18-9-10(15)12(17)14-4-2/h10,13H,3-9H2,1-2H3,(H,14,17)
InChIKeyZZBVXYRAUCFKGS-UHFFFAOYSA-N
XLogP-0.65
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
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

Computed Properties (RDKit)

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

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Related Compounds

4-[3-(tert-butylamino)propanoyl]-N-ethylmorpholine-3-carboxamide
CID 83097999
methyl 3-(ethylcarbamoyl)morpholine-4-carboxylate
CID 116657408
N-ethyl-4-[2-[(2-methylpropan-2-yl)oxy]acetyl]morpholine-3-carboxamide
CID 112605644
3-N-ethylmorpholine-3,4-dicarboxamide
CID 83106248
N-ethyl-4-[2-(2,2,2-trifluoroethylamino)acetyl]morpholine-3-carboxamide
CID 83099413
4-[2-(cyclopropylamino)acetyl]-N-ethylmorpholine-3-carboxamide
CID 83099136
4-(3-aminopropanoyl)-N-propylmorpholine-3-carboxamide
CID 83106811
3-N-ethyl-4-N-propan-2-ylmorpholine-3,4-dicarboxamide
CID 116657396
4-butanoyl-N-methylmorpholine-3-carboxamide
CID 83104060
2-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]amino]acetic acid
CID 83103608
1-[3-(ethylcarbamoyl)morpholine-4-carbonyl]cyclobutane-1-carboxylic acid
CID 83103065
2-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]-methylamino]acetic acid
CID 83103394

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[3-(ethylamino)propanoyl]morpholine-3-carboxamide?
The IUPAC name of N-ethyl-4-[3-(ethylamino)propanoyl]morpholine-3-carboxamide (CID 83099263) is N-ethyl-4-[3-(ethylamino)propanoyl]morpholine-3-carboxamide.
What is the SMILES notation for N-ethyl-4-[3-(ethylamino)propanoyl]morpholine-3-carboxamide?
The canonical SMILES for N-ethyl-4-[3-(ethylamino)propanoyl]morpholine-3-carboxamide is CCNCCC(=O)N1CCOCC1C(=O)NCC.
What is the InChIKey of N-ethyl-4-[3-(ethylamino)propanoyl]morpholine-3-carboxamide?
The InChIKey is ZZBVXYRAUCFKGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-3-13-6-5-11(16)15-7-8-18-9-10(15)12(17)14-4-2/h10,13H,3-9H2,1-2H3,(H,14,17).
What are the key properties of N-ethyl-4-[3-(ethylamino)propanoyl]morpholine-3-carboxamide?
N-ethyl-4-[3-(ethylamino)propanoyl]morpholine-3-carboxamide has a molecular weight of 257.33 g/mol, XLogP of -0.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[3-(ethylamino)propanoyl]morpholine-3-carboxamide is sourced from PubChem (CID 83099263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).