1,1-diethyl-3-[(1-ethylcyclobutyl)methyl]urea

C12H24N2O — CID 103741057

IUPAC1,1-diethyl-3-[(1-ethylcyclobutyl)methyl]urea
SMILESCCN(CC)C(=O)NCC1(CC)CCC1
InChIInChI=1S/C12H24N2O/c1-4-12(8-7-9-12)10-13-11(15)14(5-2)6-3/h4-10H2,1-3H3,(H,13,15)
InChIKeyUFLGXZOGWIQZOW-UHFFFAOYSA-N
MW212.34 g/mol
LogP2.62
Rot. Bonds5

About 1,1-diethyl-3-[(1-ethylcyclobutyl)methyl]urea

1,1-diethyl-3-[(1-ethylcyclobutyl)methyl]urea (PubChem CID 103741057) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 1,1-diethyl-3-[(1-ethylcyclobutyl)methyl]urea.

Molecular Properties

Compound Name1,1-diethyl-3-[(1-ethylcyclobutyl)methyl]urea
PubChem CID103741057
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name1,1-diethyl-3-[(1-ethylcyclobutyl)methyl]urea
SMILESCCN(CC)C(=O)NCC1(CC)CCC1
InChIInChI=1S/C12H24N2O/c1-4-12(8-7-9-12)10-13-11(15)14(5-2)6-3/h4-10H2,1-3H3,(H,13,15)
InChIKeyUFLGXZOGWIQZOW-UHFFFAOYSA-N
XLogP2.62
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-ethyl-3-[(1-ethylcyclopentyl)methyl]-1-methylurea
CID 103767932
3-[(1-ethylcyclopentyl)methyl]-1,1-dimethylurea
CID 103764918
1,1-diethyl-3-[(1-methylcyclopentyl)methyl]urea
CID 115618855
3-[[1-(dimethylamino)cyclopentyl]methyl]-1,1-diethylurea
CID 113223972
2-[1-[[[ethyl-(2-methoxy-2-oxoethyl)carbamoyl]amino]methyl]cyclobutyl]acetic acid
CID 81162549
1,1-diethyl-3-[[1-(2-methoxyethyl)cyclopropyl]methyl]urea
CID 103800433
1,1-diethyl-3-[(1-methylsulfanylcyclohexyl)methyl]urea
CID 114115882
N,N-diethyl-2-[(1-ethylcyclopentyl)methylamino]propanamide
CID 113257443
1-[(diethylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid
CID 115450090
2-[(1-ethylcyclopentyl)methylamino]-2-oxoacetic acid
CID 104768310
N-[(1-ethylcyclobutyl)methyl]-2-hydroxy-2-methylpropanamide
CID 106509811
2-amino-N-[(1-ethylcyclopentyl)methyl]acetamide
CID 103797853

Frequently Asked Questions

What is the IUPAC name of 1,1-diethyl-3-[(1-ethylcyclobutyl)methyl]urea?
The IUPAC name of 1,1-diethyl-3-[(1-ethylcyclobutyl)methyl]urea (CID 103741057) is 1,1-diethyl-3-[(1-ethylcyclobutyl)methyl]urea.
What is the SMILES notation for 1,1-diethyl-3-[(1-ethylcyclobutyl)methyl]urea?
The canonical SMILES for 1,1-diethyl-3-[(1-ethylcyclobutyl)methyl]urea is CCN(CC)C(=O)NCC1(CC)CCC1.
What is the InChIKey of 1,1-diethyl-3-[(1-ethylcyclobutyl)methyl]urea?
The InChIKey is UFLGXZOGWIQZOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-4-12(8-7-9-12)10-13-11(15)14(5-2)6-3/h4-10H2,1-3H3,(H,13,15).
What are the key properties of 1,1-diethyl-3-[(1-ethylcyclobutyl)methyl]urea?
1,1-diethyl-3-[(1-ethylcyclobutyl)methyl]urea has a molecular weight of 212.34 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethyl-3-[(1-ethylcyclobutyl)methyl]urea is sourced from PubChem (CID 103741057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).