3-amino-N-(2-morpholin-4-ylethyl)but-2-enamide

C10H19N3O2 — CID 67887674

IUPAC3-amino-N-(2-morpholin-4-ylethyl)but-2-enamide
SMILESCC(N)=CC(=O)NCCN1CCOCC1
InChIInChI=1S/C10H19N3O2/c1-9(11)8-10(14)12-2-3-13-4-6-15-7-5-13/h8H,2-7,11H2,1H3,(H,12,14)
InChIKeyGZQSMNHWUYOCFD-UHFFFAOYSA-N
MW213.28 g/mol
LogP-0.70
Rot. Bonds4

About 3-amino-N-(2-morpholin-4-ylethyl)but-2-enamide

3-amino-N-(2-morpholin-4-ylethyl)but-2-enamide (PubChem CID 67887674) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is 3-amino-N-(2-morpholin-4-ylethyl)but-2-enamide.

Molecular Properties

Compound Name3-amino-N-(2-morpholin-4-ylethyl)but-2-enamide
PubChem CID67887674
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Name3-amino-N-(2-morpholin-4-ylethyl)but-2-enamide
SMILESCC(N)=CC(=O)NCCN1CCOCC1
InChIInChI=1S/C10H19N3O2/c1-9(11)8-10(14)12-2-3-13-4-6-15-7-5-13/h8H,2-7,11H2,1H3,(H,12,14)
InChIKeyGZQSMNHWUYOCFD-UHFFFAOYSA-N
XLogP-0.70
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-Morpholinocrotonamide
CID 70579814
6-(morpholin-4-ylmethyl)-1H-pyridin-2-one
CID 144126224
3-(Morpholin-4-ylamino)-1,2-dihydropyrrol-5-one
CID 139223929
3-Morpholin-4-ylpyrrole-2,5-dione
CID 17887767
N-ethyl-2-morpholin-4-ylprop-2-enamide
CID 53756642
N-(2-morpholinoethyl)-3-aminocrotonamide
CID 67887672
3-Morpholin-4-ylbut-2-enamide
CID 70579815
4,5-diamino-N-(2-morpholin-4-ylethyl)-6-oxo-1H-pyridine-2-carboxamide
CID 70924761
3-methyl-N-(2-morpholin-4-ylethyl)but-2-enamide
CID 84367953
3-[Bis(2-methoxyethyl)amino]-1,2-dihydropyrrol-5-one
CID 91412316
(E)-4-[4-(2-methoxyethyl)piperazin-1-yl]-N-methylbut-2-enamide
CID 118034007
(E)-4-morpholin-4-yl-N-propan-2-ylbut-2-enamide
CID 118034453

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-morpholin-4-ylethyl)but-2-enamide?
The IUPAC name of 3-amino-N-(2-morpholin-4-ylethyl)but-2-enamide (CID 67887674) is 3-amino-N-(2-morpholin-4-ylethyl)but-2-enamide.
What is the SMILES notation for 3-amino-N-(2-morpholin-4-ylethyl)but-2-enamide?
The canonical SMILES for 3-amino-N-(2-morpholin-4-ylethyl)but-2-enamide is CC(N)=CC(=O)NCCN1CCOCC1.
What is the InChIKey of 3-amino-N-(2-morpholin-4-ylethyl)but-2-enamide?
The InChIKey is GZQSMNHWUYOCFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-9(11)8-10(14)12-2-3-13-4-6-15-7-5-13/h8H,2-7,11H2,1H3,(H,12,14).
What are the key properties of 3-amino-N-(2-morpholin-4-ylethyl)but-2-enamide?
3-amino-N-(2-morpholin-4-ylethyl)but-2-enamide has a molecular weight of 213.28 g/mol, XLogP of -0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-morpholin-4-ylethyl)but-2-enamide is sourced from PubChem (CID 67887674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).