N-[2-[2-[2-(prop-2-ynoylamino)ethoxy]ethoxy]ethyl]prop-2-ynamide

C12H16N2O4 — CID 89152541

IUPACN-[2-[2-[2-(prop-2-ynoylamino)ethoxy]ethoxy]ethyl]prop-2-ynamide
SMILESC#CC(=O)NCCOCCOCCNC(=O)C#C
InChIInChI=1S/C12H16N2O4/c1-3-11(15)13-5-7-17-9-10-18-8-6-14-12(16)4-2/h1-2H,5-10H2,(H,13,15)(H,14,16)
InChIKeyYJVYBAWCDSBJPY-UHFFFAOYSA-N
MW252.27 g/mol
LogP-1.48
Rot. Bonds9

About N-[2-[2-[2-(prop-2-ynoylamino)ethoxy]ethoxy]ethyl]prop-2-ynamide

N-[2-[2-[2-(prop-2-ynoylamino)ethoxy]ethoxy]ethyl]prop-2-ynamide (PubChem CID 89152541) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is N-[2-[2-[2-(prop-2-ynoylamino)ethoxy]ethoxy]ethyl]prop-2-ynamide.

Molecular Properties

Compound NameN-[2-[2-[2-(prop-2-ynoylamino)ethoxy]ethoxy]ethyl]prop-2-ynamide
PubChem CID89152541
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC NameN-[2-[2-[2-(prop-2-ynoylamino)ethoxy]ethoxy]ethyl]prop-2-ynamide
SMILESC#CC(=O)NCCOCCOCCNC(=O)C#C
InChIInChI=1S/C12H16N2O4/c1-3-11(15)13-5-7-17-9-10-18-8-6-14-12(16)4-2/h1-2H,5-10H2,(H,13,15)(H,14,16)
InChIKeyYJVYBAWCDSBJPY-UHFFFAOYSA-N
XLogP-1.48
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 5-1.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethyl]acetamide
CID 169450266
N-(2-acetamidoethyl)prop-2-ynamide
CID 130886003
N-(3-sulfanylpropyl)prop-2-ynamide
CID 170149146
N-[2-[2-(2-acetamidoethoxy)ethoxy]ethyl]acetamide
CID 18674787
N-[3-[3-[3-(but-1-en-3-yn-2-ylamino)propylamino]propylamino]propyl]prop-2-ynamide
CID 89382666
3-[3-[3-oxo-3-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethylamino]propoxy]-2,2-bis[[3-oxo-3-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethylamino]propoxy]methyl]propoxy]-N-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]propanamide
CID 167313088
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanamide
CID 138710366
4-methyl-N-[2-(2-prop-2-ynoxyethoxy)ethyl]pentanamide
CID 156733351
tert-butyl N-[2-[2-(2-but-3-ynoxyethoxy)ethoxy]ethyl]carbamate
CID 146336566
2-[2-[2-[2-[2-[2-[3-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylazanium chloride
CID 138542496
2-bromo-N-(2-but-3-ynoxyethyl)acetamide
CID 170898987
N-pent-3-ynylprop-2-ynamide
CID 104581196

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-(prop-2-ynoylamino)ethoxy]ethoxy]ethyl]prop-2-ynamide?
The IUPAC name of N-[2-[2-[2-(prop-2-ynoylamino)ethoxy]ethoxy]ethyl]prop-2-ynamide (CID 89152541) is N-[2-[2-[2-(prop-2-ynoylamino)ethoxy]ethoxy]ethyl]prop-2-ynamide.
What is the SMILES notation for N-[2-[2-[2-(prop-2-ynoylamino)ethoxy]ethoxy]ethyl]prop-2-ynamide?
The canonical SMILES for N-[2-[2-[2-(prop-2-ynoylamino)ethoxy]ethoxy]ethyl]prop-2-ynamide is C#CC(=O)NCCOCCOCCNC(=O)C#C.
What is the InChIKey of N-[2-[2-[2-(prop-2-ynoylamino)ethoxy]ethoxy]ethyl]prop-2-ynamide?
The InChIKey is YJVYBAWCDSBJPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-3-11(15)13-5-7-17-9-10-18-8-6-14-12(16)4-2/h1-2H,5-10H2,(H,13,15)(H,14,16).
What are the key properties of N-[2-[2-[2-(prop-2-ynoylamino)ethoxy]ethoxy]ethyl]prop-2-ynamide?
N-[2-[2-[2-(prop-2-ynoylamino)ethoxy]ethoxy]ethyl]prop-2-ynamide has a molecular weight of 252.27 g/mol, XLogP of -1.48, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-(prop-2-ynoylamino)ethoxy]ethoxy]ethyl]prop-2-ynamide is sourced from PubChem (CID 89152541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).