N,4-dimethylbenzamide;ethane;toluene

C20H31NO — CID 143677670

IUPACN,4-dimethylbenzamide;ethane;toluene
SMILESCC.CC.CNC(=O)c1ccc(C)cc1.Cc1ccccc1
InChIInChI=1S/C9H11NO.C7H8.2C2H6/c1-7-3-5-8(6-4-7)9(11)10-2;1-7-5-3-2-4-6-7;2*1-2/h3-6H,1-2H3,(H,10,11);2-6H,1H3;2*1-2H3
InChIKeyWKWNXFNAPYAABJ-UHFFFAOYSA-N
MW301.47 g/mol
LogP5.40
Rot. Bonds1

About N,4-dimethylbenzamide;ethane;toluene

N,4-dimethylbenzamide;ethane;toluene (PubChem CID 143677670) has the molecular formula C20H31NO and a molecular weight of 301.47 g/mol. Its IUPAC name is N,4-dimethylbenzamide;ethane;toluene.

Molecular Properties

Compound NameN,4-dimethylbenzamide;ethane;toluene
PubChem CID143677670
Molecular FormulaC20H31NO
Molecular Weight301.47 g/mol
Exact Mass301.24
IUPAC NameN,4-dimethylbenzamide;ethane;toluene
SMILESCC.CC.CNC(=O)c1ccc(C)cc1.Cc1ccccc1
InChIInChI=1S/C9H11NO.C7H8.2C2H6/c1-7-3-5-8(6-4-7)9(11)10-2;1-7-5-3-2-4-6-7;2*1-2/h3-6H,1-2H3,(H,10,11);2-6H,1H3;2*1-2H3
InChIKeyWKWNXFNAPYAABJ-UHFFFAOYSA-N
XLogP5.40
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.47
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-methylbenzamide
CID 11954
N,4-dimethylbenzamide;ethane;methyl 4-methylbenzoate
CID 143418770
ethane;N-methylbenzamide;2-methylpropane
CID 161462553
(4-methylbenzoyl)carbamic acid
CID 89120559
lithium;hydride;N-methylbenzamide
CID 173287348
N-methylbenzamide;molecular hydrogen
CID 142972595
CID 66812751
CID 66812751
bis(1,3-dimethylurea);toluene
CID 137356075
4-methyl-N-[(1S)-1-phenylethyl]benzamide
CID 730323
N-[hydroxy(phenyl)methyl]-4-methylbenzamide
CID 3358853
N-methylbenzamide;sulfuryl dichloride
CID 158851255
N-[cyano(phenyl)methyl]-4-methylbenzamide
CID 10399858

Frequently Asked Questions

What is the IUPAC name of N,4-dimethylbenzamide;ethane;toluene?
The IUPAC name of N,4-dimethylbenzamide;ethane;toluene (CID 143677670) is N,4-dimethylbenzamide;ethane;toluene.
What is the SMILES notation for N,4-dimethylbenzamide;ethane;toluene?
The canonical SMILES for N,4-dimethylbenzamide;ethane;toluene is CC.CC.CNC(=O)c1ccc(C)cc1.Cc1ccccc1.
What is the InChIKey of N,4-dimethylbenzamide;ethane;toluene?
The InChIKey is WKWNXFNAPYAABJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO.C7H8.2C2H6/c1-7-3-5-8(6-4-7)9(11)10-2;1-7-5-3-2-4-6-7;2*1-2/h3-6H,1-2H3,(H,10,11);2-6H,1H3;2*1-2H3.
What are the key properties of N,4-dimethylbenzamide;ethane;toluene?
N,4-dimethylbenzamide;ethane;toluene has a molecular weight of 301.47 g/mol, XLogP of 5.40, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethylbenzamide;ethane;toluene is sourced from PubChem (CID 143677670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).