ethane;N-ethyl-4-(ethylamino)benzamide;molecular hydrogen

C13H26N2O — CID 155715091

IUPACethane;N-ethyl-4-(ethylamino)benzamide;molecular hydrogen
SMILESCC.CCNC(=O)c1ccc(NCC)cc1.[H][H].[H][H]
InChIInChI=1S/C11H16N2O.C2H6.2H2/c1-3-12-10-7-5-9(6-8-10)11(14)13-4-2;1-2;;/h5-8,12H,3-4H2,1-2H3,(H,13,14);1-2H3;2*1H
InChIKeyCEZYCCYQBSOQKR-UHFFFAOYSA-N
MW226.36 g/mol
LogP3.39
Rot. Bonds4

About ethane;N-ethyl-4-(ethylamino)benzamide;molecular hydrogen

ethane;N-ethyl-4-(ethylamino)benzamide;molecular hydrogen (PubChem CID 155715091) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is ethane;N-ethyl-4-(ethylamino)benzamide;molecular hydrogen.

Molecular Properties

Compound Nameethane;N-ethyl-4-(ethylamino)benzamide;molecular hydrogen
PubChem CID155715091
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Nameethane;N-ethyl-4-(ethylamino)benzamide;molecular hydrogen
SMILESCC.CCNC(=O)c1ccc(NCC)cc1.[H][H].[H][H]
InChIInChI=1S/C11H16N2O.C2H6.2H2/c1-3-12-10-7-5-9(6-8-10)11(14)13-4-2;1-2;;/h5-8,12H,3-4H2,1-2H3,(H,13,14);1-2H3;2*1H
InChIKeyCEZYCCYQBSOQKR-UHFFFAOYSA-N
XLogP3.39
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-4-[[2-[4-(ethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54839505
4-(ethylamino)-N-(2-sulfamoylethyl)benzamide
CID 62169560
ethane;N-ethyl-4-hydroxybenzamide
CID 144926309
N-ethyl-4-(hexylamino)benzamide
CID 43728484
N-(cyclopropylmethyl)-4-(ethylamino)benzamide
CID 62173113
bis[4-(ethylamino)phenyl]methanone
CID 157337395
4-(ethylamino)-N-(3-methoxypropyl)benzamide
CID 62167523
N-ethyl-4-[(2-ethylphenyl)methylamino]benzamide
CID 62391591
CID 153373554
CID 153373554
[4-(ethylcarbamoyl)phenyl]carbamic acid;propane
CID 142227182
4-(ethylamino)-N-(4-methoxybutyl)benzamide
CID 62175950
N-[(4-chlorophenyl)methyl]-4-(ethylamino)benzamide
CID 62184890

Frequently Asked Questions

What is the IUPAC name of ethane;N-ethyl-4-(ethylamino)benzamide;molecular hydrogen?
The IUPAC name of ethane;N-ethyl-4-(ethylamino)benzamide;molecular hydrogen (CID 155715091) is ethane;N-ethyl-4-(ethylamino)benzamide;molecular hydrogen.
What is the SMILES notation for ethane;N-ethyl-4-(ethylamino)benzamide;molecular hydrogen?
The canonical SMILES for ethane;N-ethyl-4-(ethylamino)benzamide;molecular hydrogen is CC.CCNC(=O)c1ccc(NCC)cc1.[H][H].[H][H].
What is the InChIKey of ethane;N-ethyl-4-(ethylamino)benzamide;molecular hydrogen?
The InChIKey is CEZYCCYQBSOQKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O.C2H6.2H2/c1-3-12-10-7-5-9(6-8-10)11(14)13-4-2;1-2;;/h5-8,12H,3-4H2,1-2H3,(H,13,14);1-2H3;2*1H.
What are the key properties of ethane;N-ethyl-4-(ethylamino)benzamide;molecular hydrogen?
ethane;N-ethyl-4-(ethylamino)benzamide;molecular hydrogen has a molecular weight of 226.36 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethyl-4-(ethylamino)benzamide;molecular hydrogen is sourced from PubChem (CID 155715091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).