2-[1-(methylamino)propan-2-yloxy]-N-prop-2-ynylpropanamide

C10H18N2O2 — CID 62337386

IUPAC2-[1-(methylamino)propan-2-yloxy]-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)C(C)OC(C)CNC
InChIInChI=1S/C10H18N2O2/c1-5-6-12-10(13)9(3)14-8(2)7-11-4/h1,8-9,11H,6-7H2,2-4H3,(H,12,13)
InChIKeyKEIIREKPHRIQEH-UHFFFAOYSA-N
MW198.27 g/mol
LogP-0.25
Rot. Bonds6

About 2-[1-(methylamino)propan-2-yloxy]-N-prop-2-ynylpropanamide

2-[1-(methylamino)propan-2-yloxy]-N-prop-2-ynylpropanamide (PubChem CID 62337386) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 2-[1-(methylamino)propan-2-yloxy]-N-prop-2-ynylpropanamide.

Molecular Properties

Compound Name2-[1-(methylamino)propan-2-yloxy]-N-prop-2-ynylpropanamide
PubChem CID62337386
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name2-[1-(methylamino)propan-2-yloxy]-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)C(C)OC(C)CNC
InChIInChI=1S/C10H18N2O2/c1-5-6-12-10(13)9(3)14-8(2)7-11-4/h1,8-9,11H,6-7H2,2-4H3,(H,12,13)
InChIKeyKEIIREKPHRIQEH-UHFFFAOYSA-N
XLogP-0.25
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-2-[1-(methylamino)propan-2-yloxy]propanamide
CID 62337007
N-tert-butyl-2-[1-(methylamino)propan-2-yloxy]propanamide
CID 62336075
[(2S)-1-oxo-1-(prop-2-ynylamino)propan-2-yl] propanoate
CID 102519243
2-(2-aminoethoxy)-N-prop-2-ynylpropanamide
CID 62342840
N-cyclohexyl-2-[1-(methylamino)propan-2-yloxy]propanamide
CID 55061239
2-iodo-N-prop-2-ynylpropanamide
CID 64789120
methyl (2R)-2-methyl-3-oxo-3-(prop-2-ynylamino)propanoate
CID 124583347
2-(3-aminopropoxy)-N-prop-2-ynylpropanamide
CID 62343650
1-(2-methylpropyl)-3-prop-2-ynylurea
CID 130662493
2-(2-ethoxypropylamino)-N-prop-2-ynylpropanamide
CID 115663958
2-(methoxyamino)-N-prop-2-ynylpropanamide
CID 60721257
2-[2-methyl-6-(methylaminomethyl)phenoxy]-N-prop-2-ynylpropanamide
CID 112608452

Frequently Asked Questions

What is the IUPAC name of 2-[1-(methylamino)propan-2-yloxy]-N-prop-2-ynylpropanamide?
The IUPAC name of 2-[1-(methylamino)propan-2-yloxy]-N-prop-2-ynylpropanamide (CID 62337386) is 2-[1-(methylamino)propan-2-yloxy]-N-prop-2-ynylpropanamide.
What is the SMILES notation for 2-[1-(methylamino)propan-2-yloxy]-N-prop-2-ynylpropanamide?
The canonical SMILES for 2-[1-(methylamino)propan-2-yloxy]-N-prop-2-ynylpropanamide is C#CCNC(=O)C(C)OC(C)CNC.
What is the InChIKey of 2-[1-(methylamino)propan-2-yloxy]-N-prop-2-ynylpropanamide?
The InChIKey is KEIIREKPHRIQEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-5-6-12-10(13)9(3)14-8(2)7-11-4/h1,8-9,11H,6-7H2,2-4H3,(H,12,13).
What are the key properties of 2-[1-(methylamino)propan-2-yloxy]-N-prop-2-ynylpropanamide?
2-[1-(methylamino)propan-2-yloxy]-N-prop-2-ynylpropanamide has a molecular weight of 198.27 g/mol, XLogP of -0.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(methylamino)propan-2-yloxy]-N-prop-2-ynylpropanamide is sourced from PubChem (CID 62337386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).