ethane;3-N-ethyl-1-N,1-N,3-N-trimethylbenzene-1,3-dicarboxamide

C17H30N2O2 — CID 170603252

IUPACethane;3-N-ethyl-1-N,1-N,3-N-trimethylbenzene-1,3-dicarboxamide
SMILESCC.CC.CCN(C)C(=O)c1cccc(C(=O)N(C)C)c1
InChIInChI=1S/C13H18N2O2.2C2H6/c1-5-15(4)13(17)11-8-6-7-10(9-11)12(16)14(2)3;2*1-2/h6-9H,5H2,1-4H3;2*1-2H3
InChIKeyQZIUBVHDFJRNQI-UHFFFAOYSA-N
MW294.44 g/mol
LogP3.53
Rot. Bonds3

About ethane;3-N-ethyl-1-N,1-N,3-N-trimethylbenzene-1,3-dicarboxamide

ethane;3-N-ethyl-1-N,1-N,3-N-trimethylbenzene-1,3-dicarboxamide (PubChem CID 170603252) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is ethane;3-N-ethyl-1-N,1-N,3-N-trimethylbenzene-1,3-dicarboxamide.

Molecular Properties

Compound Nameethane;3-N-ethyl-1-N,1-N,3-N-trimethylbenzene-1,3-dicarboxamide
PubChem CID170603252
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Nameethane;3-N-ethyl-1-N,1-N,3-N-trimethylbenzene-1,3-dicarboxamide
SMILESCC.CC.CCN(C)C(=O)c1cccc(C(=O)N(C)C)c1
InChIInChI=1S/C13H18N2O2.2C2H6/c1-5-15(4)13(17)11-8-6-7-10(9-11)12(16)14(2)3;2*1-2/h6-9H,5H2,1-4H3;2*1-2H3
InChIKeyQZIUBVHDFJRNQI-UHFFFAOYSA-N
XLogP3.53
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,3-diethyl-N-methylbenzamide
CID 89250993
N-ethyl-3-methoxy-N-methylbenzamide
CID 15816607
3-(chloromethyl)-N-ethyl-N-methylbenzamide
CID 43263325
N-ethyl-N-methyl-3-(4-methylphenyl)benzamide
CID 145356700
ethane;N-ethyl-3,4-dihydroxy-N-methylbenzamide
CID 144926311
3-N-(3-amino-2,2-dimethylpropyl)-1-N,1-N,3-N-trimethylbenzene-1,3-dicarboxamide;hydrochloride
CID 119657069
N-ethyl-N-methyl-3-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 134023630
3-(2,2-dimethylpropanoylamino)-N-ethyl-N-methylbenzamide
CID 134063370
1-N-butyl-3-N,3-N-diethyl-1-N-methylbenzene-1,3-dicarboxamide
CID 109055821
2-[[3-[ethyl(methyl)carbamoyl]benzoyl]-(2-methoxyethyl)amino]acetic acid
CID 119189296
N,N-dimethyl-3-(methylamino)benzamide;ethane
CID 91408702
3-(3-ethylphenyl)-N,N-dimethylbenzamide
CID 20651355

Frequently Asked Questions

What is the IUPAC name of ethane;3-N-ethyl-1-N,1-N,3-N-trimethylbenzene-1,3-dicarboxamide?
The IUPAC name of ethane;3-N-ethyl-1-N,1-N,3-N-trimethylbenzene-1,3-dicarboxamide (CID 170603252) is ethane;3-N-ethyl-1-N,1-N,3-N-trimethylbenzene-1,3-dicarboxamide.
What is the SMILES notation for ethane;3-N-ethyl-1-N,1-N,3-N-trimethylbenzene-1,3-dicarboxamide?
The canonical SMILES for ethane;3-N-ethyl-1-N,1-N,3-N-trimethylbenzene-1,3-dicarboxamide is CC.CC.CCN(C)C(=O)c1cccc(C(=O)N(C)C)c1.
What is the InChIKey of ethane;3-N-ethyl-1-N,1-N,3-N-trimethylbenzene-1,3-dicarboxamide?
The InChIKey is QZIUBVHDFJRNQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2.2C2H6/c1-5-15(4)13(17)11-8-6-7-10(9-11)12(16)14(2)3;2*1-2/h6-9H,5H2,1-4H3;2*1-2H3.
What are the key properties of ethane;3-N-ethyl-1-N,1-N,3-N-trimethylbenzene-1,3-dicarboxamide?
ethane;3-N-ethyl-1-N,1-N,3-N-trimethylbenzene-1,3-dicarboxamide has a molecular weight of 294.44 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-N-ethyl-1-N,1-N,3-N-trimethylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 170603252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).