2-[ethyl(2-hydroxyethyl)amino]-N-prop-2-ynylacetamide

C9H16N2O2 — CID 60686063

IUPAC2-[ethyl(2-hydroxyethyl)amino]-N-prop-2-ynylacetamide
SMILESC#CCNC(=O)CN(CC)CCO
InChIInChI=1S/C9H16N2O2/c1-3-5-10-9(13)8-11(4-2)6-7-12/h1,12H,4-8H2,2H3,(H,10,13)
InChIKeyRGOALLBUSPBOIU-UHFFFAOYSA-N
MW184.24 g/mol
LogP-0.95
Rot. Bonds6

About 2-[ethyl(2-hydroxyethyl)amino]-N-prop-2-ynylacetamide

2-[ethyl(2-hydroxyethyl)amino]-N-prop-2-ynylacetamide (PubChem CID 60686063) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 2-[ethyl(2-hydroxyethyl)amino]-N-prop-2-ynylacetamide.

Molecular Properties

Compound Name2-[ethyl(2-hydroxyethyl)amino]-N-prop-2-ynylacetamide
PubChem CID60686063
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name2-[ethyl(2-hydroxyethyl)amino]-N-prop-2-ynylacetamide
SMILESC#CCNC(=O)CN(CC)CCO
InChIInChI=1S/C9H16N2O2/c1-3-5-10-9(13)8-11(4-2)6-7-12/h1,12H,4-8H2,2H3,(H,10,13)
InChIKeyRGOALLBUSPBOIU-UHFFFAOYSA-N
XLogP-0.95
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 5-0.95
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-[bis(2-hydroxyethyl)amino]-N-propylacetamide
CID 60686308
2-[ethyl(propyl)amino]-N-propylacetamide
CID 135183244
2-[ethyl(2-hydroxyethyl)amino]-N-(3-methylbutan-2-yl)acetamide
CID 60685750
N-[(3,5-difluorophenyl)methyl]-2-[ethyl(2-hydroxyethyl)amino]acetamide
CID 110898971
2-[(5-chlorothiophen-2-yl)methyl-ethylamino]-N-prop-2-ynylacetamide
CID 27072038
2-[ethyl-[2-oxo-2-(prop-2-ynylamino)ethyl]amino]-2-methylpropanoic acid
CID 62820145
2-[ethyl(2-hydroxyethyl)amino]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 60685466
2-[ethyl(2-hydroxyethyl)amino]-N-(2-methoxyethylcarbamoyl)acetamide
CID 31994044
N-cycloheptyl-2-[ethyl(2-hydroxyethyl)amino]acetamide
CID 60685926
2-(N-ethylanilino)-N-prop-2-ynylacetamide
CID 78914189
2-[methyl(2-methylbutan-2-yl)amino]-N-prop-2-ynylacetamide
CID 78963427
2-[butyl(2-hydroxyethyl)amino]-N-(2-hydroxyethyl)acetamide
CID 61446926

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(2-hydroxyethyl)amino]-N-prop-2-ynylacetamide?
The IUPAC name of 2-[ethyl(2-hydroxyethyl)amino]-N-prop-2-ynylacetamide (CID 60686063) is 2-[ethyl(2-hydroxyethyl)amino]-N-prop-2-ynylacetamide.
What is the SMILES notation for 2-[ethyl(2-hydroxyethyl)amino]-N-prop-2-ynylacetamide?
The canonical SMILES for 2-[ethyl(2-hydroxyethyl)amino]-N-prop-2-ynylacetamide is C#CCNC(=O)CN(CC)CCO.
What is the InChIKey of 2-[ethyl(2-hydroxyethyl)amino]-N-prop-2-ynylacetamide?
The InChIKey is RGOALLBUSPBOIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-3-5-10-9(13)8-11(4-2)6-7-12/h1,12H,4-8H2,2H3,(H,10,13).
What are the key properties of 2-[ethyl(2-hydroxyethyl)amino]-N-prop-2-ynylacetamide?
2-[ethyl(2-hydroxyethyl)amino]-N-prop-2-ynylacetamide has a molecular weight of 184.24 g/mol, XLogP of -0.95, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(2-hydroxyethyl)amino]-N-prop-2-ynylacetamide is sourced from PubChem (CID 60686063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).