2-(2-aminoethoxy)-N-prop-2-ynylpropanamide

C8H14N2O2 — CID 62342840

IUPAC2-(2-aminoethoxy)-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)C(C)OCCN
InChIInChI=1S/C8H14N2O2/c1-3-5-10-8(11)7(2)12-6-4-9/h1,7H,4-6,9H2,2H3,(H,10,11)
InChIKeyVZTYEZFIYOBTOJ-UHFFFAOYSA-N
MW170.21 g/mol
LogP-0.90
Rot. Bonds5

About 2-(2-aminoethoxy)-N-prop-2-ynylpropanamide

2-(2-aminoethoxy)-N-prop-2-ynylpropanamide (PubChem CID 62342840) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 2-(2-aminoethoxy)-N-prop-2-ynylpropanamide.

Molecular Properties

Compound Name2-(2-aminoethoxy)-N-prop-2-ynylpropanamide
PubChem CID62342840
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name2-(2-aminoethoxy)-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)C(C)OCCN
InChIInChI=1S/C8H14N2O2/c1-3-5-10-8(11)7(2)12-6-4-9/h1,7H,4-6,9H2,2H3,(H,10,11)
InChIKeyVZTYEZFIYOBTOJ-UHFFFAOYSA-N
XLogP-0.90
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 5-0.90
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

2-(3-aminopropoxy)-N-prop-2-ynylpropanamide
CID 62343650
methyl (2R)-2-methyl-3-oxo-3-(prop-2-ynylamino)propanoate
CID 124583347
[(2S)-1-oxo-1-(prop-2-ynylamino)propan-2-yl] propanoate
CID 102519243
2-(2-aminoethylamino)-N-prop-2-ynylpropanamide
CID 62140900
2-(2-aminoethoxy)-N-(methylcarbamoyl)propanamide
CID 106938050
methyl 2-(2-aminoethoxy)propanoate;hydrochloride
CID 175589324
2-[1-(methylamino)propan-2-yloxy]-N-prop-2-ynylpropanamide
CID 62337386
2-iodo-N-prop-2-ynylpropanamide
CID 64789120
2-methyl-N-prop-2-ynylpentanamide
CID 60707067
N-(3-aminopropyl)-2-(3-methylbutoxy)propanamide;hydrochloride
CID 119407306
(2S)-2-[2-oxo-2-(prop-2-ynylamino)ethoxy]propanoic acid
CID 104876435
2-[4-(aminomethyl)-2,6-dimethylphenoxy]-N-prop-2-ynylpropanamide
CID 60879224

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethoxy)-N-prop-2-ynylpropanamide?
The IUPAC name of 2-(2-aminoethoxy)-N-prop-2-ynylpropanamide (CID 62342840) is 2-(2-aminoethoxy)-N-prop-2-ynylpropanamide.
What is the SMILES notation for 2-(2-aminoethoxy)-N-prop-2-ynylpropanamide?
The canonical SMILES for 2-(2-aminoethoxy)-N-prop-2-ynylpropanamide is C#CCNC(=O)C(C)OCCN.
What is the InChIKey of 2-(2-aminoethoxy)-N-prop-2-ynylpropanamide?
The InChIKey is VZTYEZFIYOBTOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-3-5-10-8(11)7(2)12-6-4-9/h1,7H,4-6,9H2,2H3,(H,10,11).
What are the key properties of 2-(2-aminoethoxy)-N-prop-2-ynylpropanamide?
2-(2-aminoethoxy)-N-prop-2-ynylpropanamide has a molecular weight of 170.21 g/mol, XLogP of -0.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethoxy)-N-prop-2-ynylpropanamide is sourced from PubChem (CID 62342840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).