N-[1-(3,5-dimethylmorpholin-4-yl)ethyl]prop-2-enamide

C11H20N2O2 — CID 19872356

IUPACN-[1-(3,5-dimethylmorpholin-4-yl)ethyl]prop-2-enamide
SMILESC=CC(=O)NC(C)N1C(C)COCC1C
InChIInChI=1S/C11H20N2O2/c1-5-11(14)12-10(4)13-8(2)6-15-7-9(13)3/h5,8-10H,1,6-7H2,2-4H3,(H,12,14)
InChIKeyOMQKKVSNWIAIHI-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.74
Rot. Bonds3

About N-[1-(3,5-dimethylmorpholin-4-yl)ethyl]prop-2-enamide

N-[1-(3,5-dimethylmorpholin-4-yl)ethyl]prop-2-enamide (PubChem CID 19872356) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is N-[1-(3,5-dimethylmorpholin-4-yl)ethyl]prop-2-enamide.

Molecular Properties

Compound NameN-[1-(3,5-dimethylmorpholin-4-yl)ethyl]prop-2-enamide
PubChem CID19872356
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC NameN-[1-(3,5-dimethylmorpholin-4-yl)ethyl]prop-2-enamide
SMILESC=CC(=O)NC(C)N1C(C)COCC1C
InChIInChI=1S/C11H20N2O2/c1-5-11(14)12-10(4)13-8(2)6-15-7-9(13)3/h5,8-10H,1,6-7H2,2-4H3,(H,12,14)
InChIKeyOMQKKVSNWIAIHI-UHFFFAOYSA-N
XLogP0.74
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[1-(3,5-dimethylmorpholin-4-yl)ethyl]prop-2-enamide 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

N-[(Morpholin-4-yl)methyl]prop-2-enamide
CID 22725837
N-morpholinomethylacrylamide hydrochloride
CID 129761885
6-morpholin-4-yl-3-propan-2-yl-1H-pyrimidine-2,4-dione
CID 134987665
1-(Morpholin-4-ylmethyl)-3-prop-2-enylurea
CID 249769
N-(1-morpholin-4-ylethyl)prop-2-enamide
CID 18539662
2-methyl-N-(1-morpholin-4-ylpropyl)prop-2-enamide
CID 23205772
N-(2-morpholin-4-ylpropyl)prop-2-enamide
CID 53787036
N-(3-morpholin-4-ylbutyl)prop-2-enamide
CID 54301471
N-(2-morpholin-4-ylbutyl)prop-2-enamide
CID 54389628
N-[2-(3,5-dimethylmorpholin-4-yl)ethyl]prop-2-enamide
CID 54484386
N-(4-propylmorpholin-3-yl)prop-2-enamide
CID 66614706
2-methyl-N-(1-morpholin-4-ylethyl)prop-2-enamide
CID 66895954

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dimethylmorpholin-4-yl)ethyl]prop-2-enamide?
The IUPAC name of N-[1-(3,5-dimethylmorpholin-4-yl)ethyl]prop-2-enamide (CID 19872356) is N-[1-(3,5-dimethylmorpholin-4-yl)ethyl]prop-2-enamide.
What is the SMILES notation for N-[1-(3,5-dimethylmorpholin-4-yl)ethyl]prop-2-enamide?
The canonical SMILES for N-[1-(3,5-dimethylmorpholin-4-yl)ethyl]prop-2-enamide is C=CC(=O)NC(C)N1C(C)COCC1C.
What is the InChIKey of N-[1-(3,5-dimethylmorpholin-4-yl)ethyl]prop-2-enamide?
The InChIKey is OMQKKVSNWIAIHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-5-11(14)12-10(4)13-8(2)6-15-7-9(13)3/h5,8-10H,1,6-7H2,2-4H3,(H,12,14).
What are the key properties of N-[1-(3,5-dimethylmorpholin-4-yl)ethyl]prop-2-enamide?
N-[1-(3,5-dimethylmorpholin-4-yl)ethyl]prop-2-enamide has a molecular weight of 212.29 g/mol, XLogP of 0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dimethylmorpholin-4-yl)ethyl]prop-2-enamide is sourced from PubChem (CID 19872356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).