benzene;ethane;ethylbenzene;bis(1-ethyl-3-methylurea)

C24H42N4O2 — CID 91613310

IUPACbenzene;ethane;ethylbenzene;bis(1-ethyl-3-methylurea)
SMILESCC.CCNC(=O)NC.CCNC(=O)NC.CCc1ccccc1.c1ccccc1
InChIInChI=1S/C8H10.C6H6.2C4H10N2O.C2H6/c1-2-8-6-4-3-5-7-8;1-2-4-6-5-3-1;2*1-3-6-4(7)5-2;1-2/h3-7H,2H2,1H3;1-6H;2*3H2,1-2H3,(H2,5,6,7);1-2H3
InChIKeyJRQXLMHCXXWNJH-UHFFFAOYSA-N
MW418.63 g/mol
LogP4.83
Rot. Bonds3

About benzene;ethane;ethylbenzene;bis(1-ethyl-3-methylurea)

benzene;ethane;ethylbenzene;bis(1-ethyl-3-methylurea) (PubChem CID 91613310) has the molecular formula C24H42N4O2 and a molecular weight of 418.63 g/mol. Its IUPAC name is benzene;ethane;ethylbenzene;bis(1-ethyl-3-methylurea).

Molecular Properties

Compound Namebenzene;ethane;ethylbenzene;bis(1-ethyl-3-methylurea)
PubChem CID91613310
Molecular FormulaC24H42N4O2
Molecular Weight418.63 g/mol
Exact Mass418.33
IUPAC Namebenzene;ethane;ethylbenzene;bis(1-ethyl-3-methylurea)
SMILESCC.CCNC(=O)NC.CCNC(=O)NC.CCc1ccccc1.c1ccccc1
InChIInChI=1S/C8H10.C6H6.2C4H10N2O.C2H6/c1-2-8-6-4-3-5-7-8;1-2-4-6-5-3-1;2*1-3-6-4(7)5-2;1-2/h3-7H,2H2,1H3;1-6H;2*3H2,1-2H3,(H2,5,6,7);1-2H3
InChIKeyJRQXLMHCXXWNJH-UHFFFAOYSA-N
XLogP4.83
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.63
LogP ≤ 54.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Analyze benzene;ethane;ethylbenzene;bis(1-ethyl-3-methylurea) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-Cyclohexyl-N'-(Propyl)Phenyl Urea
CID 4358
N,N'-Bis(2-phenylethyl)urea
CID 95244
Urea, N,N''-1,6-hexanediylbis[N'-(phenylmethyl)-
CID 2818389
1-Cyclohexyl-3-(2-phenylethyl)urea
CID 742677
N-(tert-butyl)-N'-phenethylurea
CID 306674
1-Benzyl-3-(2-phenylethyl)urea
CID 3745478
1-Butan-2-yl-3-(3-phenylpropyl)urea
CID 45366530
1-Benzyl-3-[3-[4-[3-(benzylcarbamoylamino)propylamino]butylamino]propyl]urea
CID 46867798
1-[(2S)-butan-2-yl]-3-(3-phenylpropyl)urea
CID 93534208
1-[(1S)-1-phenylethyl]-3-(3-phenylpropyl)urea
CID 94519439
1-[(1S)-1-cyclohexylethyl]-3-(3-phenylpropyl)urea
CID 127044775
1-[(1R)-1-cyclohexylethyl]-3-(3-phenylpropyl)urea
CID 127044776

Frequently Asked Questions

What is the IUPAC name of benzene;ethane;ethylbenzene;bis(1-ethyl-3-methylurea)?
The IUPAC name of benzene;ethane;ethylbenzene;bis(1-ethyl-3-methylurea) (CID 91613310) is benzene;ethane;ethylbenzene;bis(1-ethyl-3-methylurea).
What is the SMILES notation for benzene;ethane;ethylbenzene;bis(1-ethyl-3-methylurea)?
The canonical SMILES for benzene;ethane;ethylbenzene;bis(1-ethyl-3-methylurea) is CC.CCNC(=O)NC.CCNC(=O)NC.CCc1ccccc1.c1ccccc1.
What is the InChIKey of benzene;ethane;ethylbenzene;bis(1-ethyl-3-methylurea)?
The InChIKey is JRQXLMHCXXWNJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10.C6H6.2C4H10N2O.C2H6/c1-2-8-6-4-3-5-7-8;1-2-4-6-5-3-1;2*1-3-6-4(7)5-2;1-2/h3-7H,2H2,1H3;1-6H;2*3H2,1-2H3,(H2,5,6,7);1-2H3.
What are the key properties of benzene;ethane;ethylbenzene;bis(1-ethyl-3-methylurea)?
benzene;ethane;ethylbenzene;bis(1-ethyl-3-methylurea) has a molecular weight of 418.63 g/mol, XLogP of 4.83, 3 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;ethane;ethylbenzene;bis(1-ethyl-3-methylurea) is sourced from PubChem (CID 91613310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).