ethane;N-(2-methoxyethyl)propanamide;molecular hydrogen

C8H21NO2 — CID 145484894

IUPACethane;N-(2-methoxyethyl)propanamide;molecular hydrogen
SMILESCC.CCC(=O)NCCOC.[H][H]
InChIInChI=1S/C6H13NO2.C2H6.H2/c1-3-6(8)7-4-5-9-2;1-2;/h3-5H2,1-2H3,(H,7,8);1-2H3;1H
InChIKeyATDNAEUXHXYYDX-UHFFFAOYSA-N
MW163.26 g/mol
LogP1.43
Rot. Bonds4

About ethane;N-(2-methoxyethyl)propanamide;molecular hydrogen

ethane;N-(2-methoxyethyl)propanamide;molecular hydrogen (PubChem CID 145484894) has the molecular formula C8H21NO2 and a molecular weight of 163.26 g/mol. Its IUPAC name is ethane;N-(2-methoxyethyl)propanamide;molecular hydrogen.

Molecular Properties

Compound Nameethane;N-(2-methoxyethyl)propanamide;molecular hydrogen
PubChem CID145484894
Molecular FormulaC8H21NO2
Molecular Weight163.26 g/mol
Exact Mass163.16
IUPAC Nameethane;N-(2-methoxyethyl)propanamide;molecular hydrogen
SMILESCC.CCC(=O)NCCOC.[H][H]
InChIInChI=1S/C6H13NO2.C2H6.H2/c1-3-6(8)7-4-5-9-2;1-2;/h3-5H2,1-2H3,(H,7,8);1-2H3;1H
InChIKeyATDNAEUXHXYYDX-UHFFFAOYSA-N
XLogP1.43
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

molecular hydrogen;N-(2-propoxyethyl)propanamide
CID 170639851
ethane;N-[2-[(2-methoxyacetyl)amino]ethyl]propanamide
CID 156794805
N-[2-[2-[(2-methoxyacetyl)amino]ethoxy]ethyl]propanamide
CID 118258329
2-hydroxy-N-(2-methoxyethyl)acetamide
CID 19987818
N,N'-bis(2-methoxyethyl)hexanediamide
CID 2933923
N-[3-(2-methoxyethylamino)-3-oxopropyl]butanamide
CID 115590611
2-(2-methoxyethoxy)-N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethylamino)-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]acetamide
CID 175629817
N-(2-methoxyethyl)-2-oxobutanamide
CID 141125375
N-[2-(2-methylprop-2-enoxy)ethyl]propanamide
CID 115700214
N-[2-[2-(2-bromoethoxy)ethoxy]ethyl]propanamide
CID 154729990
methyl N-[2-(propanoylamino)ethyl]carbamate
CID 108574125
5-methoxy-N-(2-methoxyethyl)pentanamide
CID 58281484

Frequently Asked Questions

What is the IUPAC name of ethane;N-(2-methoxyethyl)propanamide;molecular hydrogen?
The IUPAC name of ethane;N-(2-methoxyethyl)propanamide;molecular hydrogen (CID 145484894) is ethane;N-(2-methoxyethyl)propanamide;molecular hydrogen.
What is the SMILES notation for ethane;N-(2-methoxyethyl)propanamide;molecular hydrogen?
The canonical SMILES for ethane;N-(2-methoxyethyl)propanamide;molecular hydrogen is CC.CCC(=O)NCCOC.[H][H].
What is the InChIKey of ethane;N-(2-methoxyethyl)propanamide;molecular hydrogen?
The InChIKey is ATDNAEUXHXYYDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2.C2H6.H2/c1-3-6(8)7-4-5-9-2;1-2;/h3-5H2,1-2H3,(H,7,8);1-2H3;1H.
What are the key properties of ethane;N-(2-methoxyethyl)propanamide;molecular hydrogen?
ethane;N-(2-methoxyethyl)propanamide;molecular hydrogen has a molecular weight of 163.26 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(2-methoxyethyl)propanamide;molecular hydrogen is sourced from PubChem (CID 145484894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).