N-(2-methyl-4-morpholin-4-ylbutan-2-yl)prop-2-enamide

C12H22N2O2 — CID 567672

IUPACN-(2-methyl-4-morpholin-4-ylbutan-2-yl)prop-2-enamide
SMILESC=CC(=O)NC(C)(C)CCN1CCOCC1
InChIInChI=1S/C12H22N2O2/c1-4-11(15)13-12(2,3)5-6-14-7-9-16-10-8-14/h4H,1,5-10H2,2-3H3,(H,13,15)
InChIKeyNLEJLZJZNHNRCT-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.79
Rot. Bonds5

About N-(2-methyl-4-morpholin-4-ylbutan-2-yl)prop-2-enamide

N-(2-methyl-4-morpholin-4-ylbutan-2-yl)prop-2-enamide (PubChem CID 567672) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is N-(2-methyl-4-morpholin-4-ylbutan-2-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(2-methyl-4-morpholin-4-ylbutan-2-yl)prop-2-enamide
PubChem CID567672
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC NameN-(2-methyl-4-morpholin-4-ylbutan-2-yl)prop-2-enamide
SMILESC=CC(=O)NC(C)(C)CCN1CCOCC1
InChIInChI=1S/C12H22N2O2/c1-4-11(15)13-12(2,3)5-6-14-7-9-16-10-8-14/h4H,1,5-10H2,2-3H3,(H,13,15)
InChIKeyNLEJLZJZNHNRCT-UHFFFAOYSA-N
XLogP0.79
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-methyl-4-morpholin-4-ylbutan-2-yl)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

Dimethyl-[3-methyl-3-(2-methylprop-2-enoylamino)butyl]-(3-morpholin-4-yl-3-oxopropyl)azanium chloride
CID 134927069
N-(3-Morpholinopropyl)acrylamide
CID 11735756
N-(3-morpholin-4-ylbutyl)prop-2-enamide
CID 54301471
N-(4-morpholin-4-ylbutyl)prop-2-enamide
CID 54322258
N-(2-morpholin-4-ylbutyl)prop-2-enamide
CID 54389628
(E)-N-tert-butyl-4-morpholin-4-ylbut-2-enamide
CID 90066116
N-tert-butyl-2-(morpholin-4-ylmethyl)prop-2-enamide
CID 121355051
N-tert-butyl-4-morpholin-4-ylbut-2-enamide
CID 123556074
N-[3-(4-methylmorpholin-4-ium-4-yl)propyl]prop-2-enamide
CID 129181058
(E)-N-(2,3-dimethylbutan-2-yl)-4-morpholin-4-ylbut-2-enamide
CID 131991601
4-[(1-methylcyclopropyl)methyl]morpholine;N-methylprop-2-enamide
CID 153346816
N-(3-morpholin-4-ylpropyl)prop-2-enamide;prop-2-enamide
CID 159734807

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-4-morpholin-4-ylbutan-2-yl)prop-2-enamide?
The IUPAC name of N-(2-methyl-4-morpholin-4-ylbutan-2-yl)prop-2-enamide (CID 567672) is N-(2-methyl-4-morpholin-4-ylbutan-2-yl)prop-2-enamide.
What is the SMILES notation for N-(2-methyl-4-morpholin-4-ylbutan-2-yl)prop-2-enamide?
The canonical SMILES for N-(2-methyl-4-morpholin-4-ylbutan-2-yl)prop-2-enamide is C=CC(=O)NC(C)(C)CCN1CCOCC1.
What is the InChIKey of N-(2-methyl-4-morpholin-4-ylbutan-2-yl)prop-2-enamide?
The InChIKey is NLEJLZJZNHNRCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-4-11(15)13-12(2,3)5-6-14-7-9-16-10-8-14/h4H,1,5-10H2,2-3H3,(H,13,15).
What are the key properties of N-(2-methyl-4-morpholin-4-ylbutan-2-yl)prop-2-enamide?
N-(2-methyl-4-morpholin-4-ylbutan-2-yl)prop-2-enamide has a molecular weight of 226.32 g/mol, XLogP of 0.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-4-morpholin-4-ylbutan-2-yl)prop-2-enamide is sourced from PubChem (CID 567672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).