1-benzyl-3-methylurea;ethane

C15H30N2O — CID 90763782

IUPAC1-benzyl-3-methylurea;ethane
SMILESCC.CC.CC.CNC(=O)NCc1ccccc1
InChIInChI=1S/C9H12N2O.3C2H6/c1-10-9(12)11-7-8-5-3-2-4-6-8;3*1-2/h2-6H,7H2,1H3,(H2,10,11,12);3*1-2H3
InChIKeyXAFJMGZYMVRHOA-UHFFFAOYSA-N
MW254.42 g/mol
LogP4.19
Rot. Bonds2

About 1-benzyl-3-methylurea;ethane

1-benzyl-3-methylurea;ethane (PubChem CID 90763782) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 1-benzyl-3-methylurea;ethane.

Molecular Properties

Compound Name1-benzyl-3-methylurea;ethane
PubChem CID90763782
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name1-benzyl-3-methylurea;ethane
SMILESCC.CC.CC.CNC(=O)NCc1ccccc1
InChIInChI=1S/C9H12N2O.3C2H6/c1-10-9(12)11-7-8-5-3-2-4-6-8;3*1-2/h2-6H,7H2,1H3,(H2,10,11,12);3*1-2H3
InChIKeyXAFJMGZYMVRHOA-UHFFFAOYSA-N
XLogP4.19
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;1-methyl-3-[[3-(methylaminomethyl)phenyl]methyl]urea
CID 142017066
1-methyl-3-(pyridin-1-ium-3-ylmethyl)urea
CID 23548385
1-methyl-3-[[3-(methylaminomethyl)phenyl]methyl]urea
CID 23563356
N-benzyl-2-(methylcarbamoylamino)propanamide
CID 47377374
1-benzyl-3-[2-(methylamino)ethyl]urea;hydrochloride
CID 155817741
ethane;1-[(2-ethylphenyl)methyl]-3-methylurea
CID 142017164
1-benzyl-3-(2-methoxyethoxy)urea
CID 110642709
4-[(benzylcarbamoylamino)methyl]benzoic acid
CID 61180965
N-(benzylcarbamoyl)carbamoyl chloride
CID 10443184
1-benzyl-3-(propan-2-ylideneamino)urea
CID 2747682
1-benzyl-3-(2,3,3-trimethylbutan-2-yl)urea
CID 131211782
1-benzyl-3-(2-hydroxypropyl)urea
CID 103604143

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-methylurea;ethane?
The IUPAC name of 1-benzyl-3-methylurea;ethane (CID 90763782) is 1-benzyl-3-methylurea;ethane.
What is the SMILES notation for 1-benzyl-3-methylurea;ethane?
The canonical SMILES for 1-benzyl-3-methylurea;ethane is CC.CC.CC.CNC(=O)NCc1ccccc1.
What is the InChIKey of 1-benzyl-3-methylurea;ethane?
The InChIKey is XAFJMGZYMVRHOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O.3C2H6/c1-10-9(12)11-7-8-5-3-2-4-6-8;3*1-2/h2-6H,7H2,1H3,(H2,10,11,12);3*1-2H3.
What are the key properties of 1-benzyl-3-methylurea;ethane?
1-benzyl-3-methylurea;ethane has a molecular weight of 254.42 g/mol, XLogP of 4.19, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-methylurea;ethane is sourced from PubChem (CID 90763782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).