N-[2,2-dimethyl-3-[3-(2-methylpropyl)morpholin-4-yl]propyl]-N-methylprop-2-enamide

C17H32N2O2 — CID 139520028

IUPACN-[2,2-dimethyl-3-[3-(2-methylpropyl)morpholin-4-yl]propyl]-N-methylprop-2-enamide
SMILESC=CC(=O)N(C)CC(C)(C)CN1CCOCC1CC(C)C
InChIInChI=1S/C17H32N2O2/c1-7-16(20)18(6)12-17(4,5)13-19-8-9-21-11-15(19)10-14(2)3/h7,14-15H,1,8-13H2,2-6H3
InChIKeyGGFLGIIHYPKNCD-UHFFFAOYSA-N
MW296.45 g/mol
LogP2.40
Rot. Bonds7

About N-[2,2-dimethyl-3-[3-(2-methylpropyl)morpholin-4-yl]propyl]-N-methylprop-2-enamide

N-[2,2-dimethyl-3-[3-(2-methylpropyl)morpholin-4-yl]propyl]-N-methylprop-2-enamide (PubChem CID 139520028) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is N-[2,2-dimethyl-3-[3-(2-methylpropyl)morpholin-4-yl]propyl]-N-methylprop-2-enamide.

Molecular Properties

Compound NameN-[2,2-dimethyl-3-[3-(2-methylpropyl)morpholin-4-yl]propyl]-N-methylprop-2-enamide
PubChem CID139520028
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC NameN-[2,2-dimethyl-3-[3-(2-methylpropyl)morpholin-4-yl]propyl]-N-methylprop-2-enamide
SMILESC=CC(=O)N(C)CC(C)(C)CN1CCOCC1CC(C)C
InChIInChI=1S/C17H32N2O2/c1-7-16(20)18(6)12-17(4,5)13-19-8-9-21-11-15(19)10-14(2)3/h7,14-15H,1,8-13H2,2-6H3
InChIKeyGGFLGIIHYPKNCD-UHFFFAOYSA-N
XLogP2.40
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2,2-dimethyl-3-[3-(2-methylpropyl)morpholin-4-yl]propyl]-N-methylprop-2-enamide?
The IUPAC name of N-[2,2-dimethyl-3-[3-(2-methylpropyl)morpholin-4-yl]propyl]-N-methylprop-2-enamide (CID 139520028) is N-[2,2-dimethyl-3-[3-(2-methylpropyl)morpholin-4-yl]propyl]-N-methylprop-2-enamide.
What is the SMILES notation for N-[2,2-dimethyl-3-[3-(2-methylpropyl)morpholin-4-yl]propyl]-N-methylprop-2-enamide?
The canonical SMILES for N-[2,2-dimethyl-3-[3-(2-methylpropyl)morpholin-4-yl]propyl]-N-methylprop-2-enamide is C=CC(=O)N(C)CC(C)(C)CN1CCOCC1CC(C)C.
What is the InChIKey of N-[2,2-dimethyl-3-[3-(2-methylpropyl)morpholin-4-yl]propyl]-N-methylprop-2-enamide?
The InChIKey is GGFLGIIHYPKNCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-7-16(20)18(6)12-17(4,5)13-19-8-9-21-11-15(19)10-14(2)3/h7,14-15H,1,8-13H2,2-6H3.
What are the key properties of N-[2,2-dimethyl-3-[3-(2-methylpropyl)morpholin-4-yl]propyl]-N-methylprop-2-enamide?
N-[2,2-dimethyl-3-[3-(2-methylpropyl)morpholin-4-yl]propyl]-N-methylprop-2-enamide has a molecular weight of 296.45 g/mol, XLogP of 2.40, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,2-dimethyl-3-[3-(2-methylpropyl)morpholin-4-yl]propyl]-N-methylprop-2-enamide is sourced from PubChem (CID 139520028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).