N-(2-methyl-2-morpholin-4-ylpropyl)but-2-enamide

C12H22N2O2 — CID 78907145

IUPACN-(2-methyl-2-morpholin-4-ylpropyl)but-2-enamide
SMILESCC=CC(=O)NCC(C)(C)N1CCOCC1
InChIInChI=1S/C12H22N2O2/c1-4-5-11(15)13-10-12(2,3)14-6-8-16-9-7-14/h4-5H,6-10H2,1-3H3,(H,13,15)
InChIKeyZDWKUZWNIZBDPB-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.79
Rot. Bonds4

About N-(2-methyl-2-morpholin-4-ylpropyl)but-2-enamide

N-(2-methyl-2-morpholin-4-ylpropyl)but-2-enamide (PubChem CID 78907145) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is N-(2-methyl-2-morpholin-4-ylpropyl)but-2-enamide.

Molecular Properties

Compound NameN-(2-methyl-2-morpholin-4-ylpropyl)but-2-enamide
PubChem CID78907145
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC NameN-(2-methyl-2-morpholin-4-ylpropyl)but-2-enamide
SMILESCC=CC(=O)NCC(C)(C)N1CCOCC1
InChIInChI=1S/C12H22N2O2/c1-4-5-11(15)13-10-12(2,3)14-6-8-16-9-7-14/h4-5H,6-10H2,1-3H3,(H,13,15)
InChIKeyZDWKUZWNIZBDPB-UHFFFAOYSA-N
XLogP0.79
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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'}

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Related Compounds

(E)-3-(2-fluorophenyl)-N-(2-methyl-2-morpholin-4-ylpropyl)prop-2-enamide
CID 46798514
2,2,2-trifluoro-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
CID 62490413
3-[(2-methyl-2-morpholin-4-ylpropyl)amino]-3-oxopropanoic acid
CID 55049600
3-chloro-2,2-dimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)propanamide
CID 63663829
5-hydroxy-N-(2-methyl-2-morpholin-4-ylpropyl)pentanamide
CID 79193032
2-(ethylamino)-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
CID 60685788
(2R)-2-amino-N-(2-methyl-2-morpholin-4-ylpropyl)propanamide
CID 78973489
5-chloro-N-(2-methyl-2-morpholin-4-ylpropyl)pentanamide
CID 61251075
7-amino-N-(2-methyl-2-morpholin-4-ylpropyl)heptanamide
CID 61248464
(E)-3-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)prop-2-enamide
CID 51181007
1-amino-N-(2-methyl-2-morpholin-4-ylpropyl)cyclohexane-1-carboxamide
CID 61248465
N-(2-methyl-2-morpholin-4-ylpropyl)-4-(propan-2-ylamino)butanamide
CID 61250344

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-2-morpholin-4-ylpropyl)but-2-enamide?
The IUPAC name of N-(2-methyl-2-morpholin-4-ylpropyl)but-2-enamide (CID 78907145) is N-(2-methyl-2-morpholin-4-ylpropyl)but-2-enamide.
What is the SMILES notation for N-(2-methyl-2-morpholin-4-ylpropyl)but-2-enamide?
The canonical SMILES for N-(2-methyl-2-morpholin-4-ylpropyl)but-2-enamide is CC=CC(=O)NCC(C)(C)N1CCOCC1.
What is the InChIKey of N-(2-methyl-2-morpholin-4-ylpropyl)but-2-enamide?
The InChIKey is ZDWKUZWNIZBDPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-4-5-11(15)13-10-12(2,3)14-6-8-16-9-7-14/h4-5H,6-10H2,1-3H3,(H,13,15).
What are the key properties of N-(2-methyl-2-morpholin-4-ylpropyl)but-2-enamide?
N-(2-methyl-2-morpholin-4-ylpropyl)but-2-enamide has a molecular weight of 226.32 g/mol, XLogP of 0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-2-morpholin-4-ylpropyl)but-2-enamide is sourced from PubChem (CID 78907145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).