N-(2,2-dimethylpropyl)-2-(morpholin-4-ylmethyl)prop-2-enamide

C13H24N2O2 — CID 176757749

IUPACN-(2,2-dimethylpropyl)-2-(morpholin-4-ylmethyl)prop-2-enamide
SMILESC=C(CN1CCOCC1)C(=O)NCC(C)(C)C
InChIInChI=1S/C13H24N2O2/c1-11(9-15-5-7-17-8-6-15)12(16)14-10-13(2,3)4/h1,5-10H2,2-4H3,(H,14,16)
InChIKeyOQFNWIFZCWQRCY-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.04
Rot. Bonds4

About N-(2,2-dimethylpropyl)-2-(morpholin-4-ylmethyl)prop-2-enamide

N-(2,2-dimethylpropyl)-2-(morpholin-4-ylmethyl)prop-2-enamide (PubChem CID 176757749) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-2-(morpholin-4-ylmethyl)prop-2-enamide.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-2-(morpholin-4-ylmethyl)prop-2-enamide
PubChem CID176757749
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC NameN-(2,2-dimethylpropyl)-2-(morpholin-4-ylmethyl)prop-2-enamide
SMILESC=C(CN1CCOCC1)C(=O)NCC(C)(C)C
InChIInChI=1S/C13H24N2O2/c1-11(9-15-5-7-17-8-6-15)12(16)14-10-13(2,3)4/h1,5-10H2,2-4H3,(H,14,16)
InChIKeyOQFNWIFZCWQRCY-UHFFFAOYSA-N
XLogP1.04
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2,2-dimethylpropyl)-2-(morpholin-4-ylmethyl)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-(3,3-dimethylbutan-2-yl)-2-(morpholin-4-ylmethyl)prop-2-enamide
CID 176757674
N-[(2S)-3-methylbutan-2-yl]-2-(morpholin-4-ylmethyl)prop-2-enamide
CID 176757997
N-tert-butyl-N-methyl-2-(morpholin-4-ylmethyl)prop-2-enamide
CID 176757490
N-(2,2-dimethylpropyl)-4-morpholin-4-ylbenzamide
CID 110474046
2-(azetidin-1-ylmethyl)-N-ethylprop-2-enamide
CID 177013326
methyl 2-morpholin-4-ylacetate
CID 1268178
1,3-dimorpholin-4-ylpropan-2-one
CID 139559066
2-(4-tert-butylpiperazin-1-yl)-1-morpholin-4-ylethanone
CID 21061564
N-(2,2-dimethylpropyl)-2-fluoroprop-2-enamide
CID 155070864
1-morpholin-4-ylpropan-2-one;hydrochloride
CID 67491798
ethane;N-methyl-2-morpholin-4-ylacetamide
CID 143296562
N'-(1-hydroxy-2-methylpropan-2-yl)-N-(2-morpholin-4-ylethyl)oxamide
CID 108517619

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-2-(morpholin-4-ylmethyl)prop-2-enamide?
The IUPAC name of N-(2,2-dimethylpropyl)-2-(morpholin-4-ylmethyl)prop-2-enamide (CID 176757749) is N-(2,2-dimethylpropyl)-2-(morpholin-4-ylmethyl)prop-2-enamide.
What is the SMILES notation for N-(2,2-dimethylpropyl)-2-(morpholin-4-ylmethyl)prop-2-enamide?
The canonical SMILES for N-(2,2-dimethylpropyl)-2-(morpholin-4-ylmethyl)prop-2-enamide is C=C(CN1CCOCC1)C(=O)NCC(C)(C)C.
What is the InChIKey of N-(2,2-dimethylpropyl)-2-(morpholin-4-ylmethyl)prop-2-enamide?
The InChIKey is OQFNWIFZCWQRCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-11(9-15-5-7-17-8-6-15)12(16)14-10-13(2,3)4/h1,5-10H2,2-4H3,(H,14,16).
What are the key properties of N-(2,2-dimethylpropyl)-2-(morpholin-4-ylmethyl)prop-2-enamide?
N-(2,2-dimethylpropyl)-2-(morpholin-4-ylmethyl)prop-2-enamide has a molecular weight of 240.35 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-2-(morpholin-4-ylmethyl)prop-2-enamide is sourced from PubChem (CID 176757749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).