(2S)-2-(2,2-dimethylmorpholin-4-yl)-N-prop-2-ynylpropanamide

C12H20N2O2 — CID 38136094

IUPAC(2S)-2-(2,2-dimethylmorpholin-4-yl)-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)[C@H](C)N1CCOC(C)(C)C1
InChIInChI=1S/C12H20N2O2/c1-5-6-13-11(15)10(2)14-7-8-16-12(3,4)9-14/h1,10H,6-9H2,2-4H3,(H,13,15)/t10-/m0/s1
InChIKeyPAGIDVVKGMUGHN-JTQLQIEISA-N
MW224.30 g/mol
LogP0.24
Rot. Bonds3

About (2S)-2-(2,2-dimethylmorpholin-4-yl)-N-prop-2-ynylpropanamide

(2S)-2-(2,2-dimethylmorpholin-4-yl)-N-prop-2-ynylpropanamide (PubChem CID 38136094) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is (2S)-2-(2,2-dimethylmorpholin-4-yl)-N-prop-2-ynylpropanamide.

Molecular Properties

Compound Name(2S)-2-(2,2-dimethylmorpholin-4-yl)-N-prop-2-ynylpropanamide
PubChem CID38136094
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name(2S)-2-(2,2-dimethylmorpholin-4-yl)-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)[C@H](C)N1CCOC(C)(C)C1
InChIInChI=1S/C12H20N2O2/c1-5-6-13-11(15)10(2)14-7-8-16-12(3,4)9-14/h1,10H,6-9H2,2-4H3,(H,13,15)/t10-/m0/s1
InChIKeyPAGIDVVKGMUGHN-JTQLQIEISA-N
XLogP0.24
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,2-dimethylmorpholin-4-yl)-N-prop-2-ynylpropanamide?
The IUPAC name of (2S)-2-(2,2-dimethylmorpholin-4-yl)-N-prop-2-ynylpropanamide (CID 38136094) is (2S)-2-(2,2-dimethylmorpholin-4-yl)-N-prop-2-ynylpropanamide.
What is the SMILES notation for (2S)-2-(2,2-dimethylmorpholin-4-yl)-N-prop-2-ynylpropanamide?
The canonical SMILES for (2S)-2-(2,2-dimethylmorpholin-4-yl)-N-prop-2-ynylpropanamide is C#CCNC(=O)[C@H](C)N1CCOC(C)(C)C1.
What is the InChIKey of (2S)-2-(2,2-dimethylmorpholin-4-yl)-N-prop-2-ynylpropanamide?
The InChIKey is PAGIDVVKGMUGHN-JTQLQIEISA-N. The full InChI is InChI=1S/C12H20N2O2/c1-5-6-13-11(15)10(2)14-7-8-16-12(3,4)9-14/h1,10H,6-9H2,2-4H3,(H,13,15)/t10-/m0/s1.
What are the key properties of (2S)-2-(2,2-dimethylmorpholin-4-yl)-N-prop-2-ynylpropanamide?
(2S)-2-(2,2-dimethylmorpholin-4-yl)-N-prop-2-ynylpropanamide has a molecular weight of 224.30 g/mol, XLogP of 0.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,2-dimethylmorpholin-4-yl)-N-prop-2-ynylpropanamide is sourced from PubChem (CID 38136094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).