N-(2-methoxyethyl)prop-2-ynamide

C6H9NO2 — CID 19020473

IUPACN-(2-methoxyethyl)prop-2-ynamide
SMILESC#CC(=O)NCCOC
InChIInChI=1S/C6H9NO2/c1-3-6(8)7-4-5-9-2/h1H,4-5H2,2H3,(H,7,8)
InChIKeyLADROBBDBAECMN-UHFFFAOYSA-N
MW127.14 g/mol
LogP-0.62
Rot. Bonds3

About N-(2-methoxyethyl)prop-2-ynamide

N-(2-methoxyethyl)prop-2-ynamide (PubChem CID 19020473) has the molecular formula C6H9NO2 and a molecular weight of 127.14 g/mol. Its IUPAC name is N-(2-methoxyethyl)prop-2-ynamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)prop-2-ynamide
PubChem CID19020473
Molecular FormulaC6H9NO2
Molecular Weight127.14 g/mol
Exact Mass127.06
IUPAC NameN-(2-methoxyethyl)prop-2-ynamide
SMILESC#CC(=O)NCCOC
InChIInChI=1S/C6H9NO2/c1-3-6(8)7-4-5-9-2/h1H,4-5H2,2H3,(H,7,8)
InChIKeyLADROBBDBAECMN-UHFFFAOYSA-N
XLogP-0.62
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.14
LogP ≤ 5-0.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-methoxyethyl)acetamide
CID 21525
(2-Methoxyl-1-methylethyl) acetamide
CID 5182380
3-(2-Trifluoroacetamidoethoxy)propyne
CID 16742621
2,2,2-trifluoro-N-(2-prop-1-ynoxyethyl)acetamide
CID 87172478
2,2,2-trifluoro-N-(1-methoxybut-3-yn-2-yl)acetamide
CID 130927350
N-(but-3-yn-1-yl)-2-ethoxyacetamide
CID 56765710
Propanamide, N-(2-methoxyethyl)-
CID 5151403
N-[(2R)-1-methoxypropan-2-yl]acetamide
CID 11105394
2-Methoxy-N-(prop-2-ynyl)acetamide
CID 11252011
N-[(2S)-1-methoxypropan-2-yl]acetamide
CID 14511493
N-(2-propoxyethyl)acetamide
CID 18955686
N-alpha-ethoxyethyl-acetamide
CID 20064743

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)prop-2-ynamide?
The IUPAC name of N-(2-methoxyethyl)prop-2-ynamide (CID 19020473) is N-(2-methoxyethyl)prop-2-ynamide.
What is the SMILES notation for N-(2-methoxyethyl)prop-2-ynamide?
The canonical SMILES for N-(2-methoxyethyl)prop-2-ynamide is C#CC(=O)NCCOC.
What is the InChIKey of N-(2-methoxyethyl)prop-2-ynamide?
The InChIKey is LADROBBDBAECMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO2/c1-3-6(8)7-4-5-9-2/h1H,4-5H2,2H3,(H,7,8).
What are the key properties of N-(2-methoxyethyl)prop-2-ynamide?
N-(2-methoxyethyl)prop-2-ynamide has a molecular weight of 127.14 g/mol, XLogP of -0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)prop-2-ynamide is sourced from PubChem (CID 19020473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).