2-morpholin-4-ylpropyl prop-2-enoate;propyl 2-morpholin-4-ylprop-2-enoate

C20H34N2O6 — CID 146541159

IUPAC2-morpholin-4-ylpropyl prop-2-enoate;propyl 2-morpholin-4-ylprop-2-enoate
SMILESC=C(C(=O)OCCC)N1CCOCC1.C=CC(=O)OCC(C)N1CCOCC1
InChIInChI=1S/2C10H17NO3/c1-3-10(12)14-8-9(2)11-4-6-13-7-5-11;1-3-6-14-10(12)9(2)11-4-7-13-8-5-11/h3,9H,1,4-8H2,2H3;2-8H2,1H3
InChIKeyPEKNLDCFOXOKOY-UHFFFAOYSA-N
MW398.50 g/mol
LogP1.22
Rot. Bonds8

About 2-morpholin-4-ylpropyl prop-2-enoate;propyl 2-morpholin-4-ylprop-2-enoate

2-morpholin-4-ylpropyl prop-2-enoate;propyl 2-morpholin-4-ylprop-2-enoate (PubChem CID 146541159) has the molecular formula C20H34N2O6 and a molecular weight of 398.50 g/mol. Its IUPAC name is 2-morpholin-4-ylpropyl prop-2-enoate;propyl 2-morpholin-4-ylprop-2-enoate.

Molecular Properties

Compound Name2-morpholin-4-ylpropyl prop-2-enoate;propyl 2-morpholin-4-ylprop-2-enoate
PubChem CID146541159
Molecular FormulaC20H34N2O6
Molecular Weight398.50 g/mol
Exact Mass398.24
IUPAC Name2-morpholin-4-ylpropyl prop-2-enoate;propyl 2-morpholin-4-ylprop-2-enoate
SMILESC=C(C(=O)OCCC)N1CCOCC1.C=CC(=O)OCC(C)N1CCOCC1
InChIInChI=1S/2C10H17NO3/c1-3-10(12)14-8-9(2)11-4-6-13-7-5-11;1-3-6-14-10(12)9(2)11-4-7-13-8-5-11/h3,9H,1,4-8H2,2H3;2-8H2,1H3
InChIKeyPEKNLDCFOXOKOY-UHFFFAOYSA-N
XLogP1.22
TPSA77.54 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.50
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-morpholin-4-ylpropyl prop-2-enoate;propyl 2-morpholin-4-ylprop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

propyl 2-pyrrolidin-1-ylprop-2-enoate
CID 146541157
2-morpholin-4-ylpropyl 2-methylpropanoate
CID 131966450
ethyl 2-(1,3-oxazolidin-3-yl)prop-2-enoate
CID 175273423
propan-2-yl prop-2-enoate;propyl prop-2-enoate
CID 19001097
methyl-morpholin-4-yl-(2-prop-2-enoyloxyethyl)azanium chloride
CID 142684886
octyl 2-morpholin-4-yl-2-oxoacetate
CID 6422272
undecyl 2-morpholin-4-yl-2-oxoacetate
CID 6422264
2-(4-methylmorpholin-4-ium-4-yl)propyl prop-2-enoate
CID 142630567
N-propan-2-ylpropan-2-amine;propyl prop-2-enoate
CID 175325942
N,N-di(propan-2-yl)propan-2-amine;propyl prop-2-enoate
CID 146373089
oxolane;propyl 2-methylprop-2-enoate
CID 175153553
carbamic acid;propyl prop-2-enoate
CID 87571569

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-ylpropyl prop-2-enoate;propyl 2-morpholin-4-ylprop-2-enoate?
The IUPAC name of 2-morpholin-4-ylpropyl prop-2-enoate;propyl 2-morpholin-4-ylprop-2-enoate (CID 146541159) is 2-morpholin-4-ylpropyl prop-2-enoate;propyl 2-morpholin-4-ylprop-2-enoate.
What is the SMILES notation for 2-morpholin-4-ylpropyl prop-2-enoate;propyl 2-morpholin-4-ylprop-2-enoate?
The canonical SMILES for 2-morpholin-4-ylpropyl prop-2-enoate;propyl 2-morpholin-4-ylprop-2-enoate is C=C(C(=O)OCCC)N1CCOCC1.C=CC(=O)OCC(C)N1CCOCC1.
What is the InChIKey of 2-morpholin-4-ylpropyl prop-2-enoate;propyl 2-morpholin-4-ylprop-2-enoate?
The InChIKey is PEKNLDCFOXOKOY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H17NO3/c1-3-10(12)14-8-9(2)11-4-6-13-7-5-11;1-3-6-14-10(12)9(2)11-4-7-13-8-5-11/h3,9H,1,4-8H2,2H3;2-8H2,1H3.
What are the key properties of 2-morpholin-4-ylpropyl prop-2-enoate;propyl 2-morpholin-4-ylprop-2-enoate?
2-morpholin-4-ylpropyl prop-2-enoate;propyl 2-morpholin-4-ylprop-2-enoate has a molecular weight of 398.50 g/mol, XLogP of 1.22, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-ylpropyl prop-2-enoate;propyl 2-morpholin-4-ylprop-2-enoate is sourced from PubChem (CID 146541159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).