N-ethyl-N-(2-methoxyethyl)-2-(prop-2-ynylamino)acetamide

C10H18N2O2 — CID 79286437

IUPACN-ethyl-N-(2-methoxyethyl)-2-(prop-2-ynylamino)acetamide
SMILESC#CCNCC(=O)N(CC)CCOC
InChIInChI=1S/C10H18N2O2/c1-4-6-11-9-10(13)12(5-2)7-8-14-3/h1,11H,5-9H2,2-3H3
InChIKeyCRLIXJZCOUZPRS-UHFFFAOYSA-N
MW198.27 g/mol
LogP-0.30
Rot. Bonds7

About N-ethyl-N-(2-methoxyethyl)-2-(prop-2-ynylamino)acetamide

N-ethyl-N-(2-methoxyethyl)-2-(prop-2-ynylamino)acetamide (PubChem CID 79286437) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is N-ethyl-N-(2-methoxyethyl)-2-(prop-2-ynylamino)acetamide.

Molecular Properties

Compound NameN-ethyl-N-(2-methoxyethyl)-2-(prop-2-ynylamino)acetamide
PubChem CID79286437
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC NameN-ethyl-N-(2-methoxyethyl)-2-(prop-2-ynylamino)acetamide
SMILESC#CCNCC(=O)N(CC)CCOC
InChIInChI=1S/C10H18N2O2/c1-4-6-11-9-10(13)12(5-2)7-8-14-3/h1,11H,5-9H2,2-3H3
InChIKeyCRLIXJZCOUZPRS-UHFFFAOYSA-N
XLogP-0.30
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-methoxyethyl)-2-(prop-2-ynylamino)acetamide?
The IUPAC name of N-ethyl-N-(2-methoxyethyl)-2-(prop-2-ynylamino)acetamide (CID 79286437) is N-ethyl-N-(2-methoxyethyl)-2-(prop-2-ynylamino)acetamide.
What is the SMILES notation for N-ethyl-N-(2-methoxyethyl)-2-(prop-2-ynylamino)acetamide?
The canonical SMILES for N-ethyl-N-(2-methoxyethyl)-2-(prop-2-ynylamino)acetamide is C#CCNCC(=O)N(CC)CCOC.
What is the InChIKey of N-ethyl-N-(2-methoxyethyl)-2-(prop-2-ynylamino)acetamide?
The InChIKey is CRLIXJZCOUZPRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-4-6-11-9-10(13)12(5-2)7-8-14-3/h1,11H,5-9H2,2-3H3.
What are the key properties of N-ethyl-N-(2-methoxyethyl)-2-(prop-2-ynylamino)acetamide?
N-ethyl-N-(2-methoxyethyl)-2-(prop-2-ynylamino)acetamide has a molecular weight of 198.27 g/mol, XLogP of -0.30, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-methoxyethyl)-2-(prop-2-ynylamino)acetamide is sourced from PubChem (CID 79286437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).