3-(2,6-diethylphenyl)-1-methyl-1-(2-pyridin-2-ylethyl)urea

C19H25N3O — CID 86987284

IUPAC3-(2,6-diethylphenyl)-1-methyl-1-(2-pyridin-2-ylethyl)urea
SMILESCCc1cccc(CC)c1NC(=O)N(C)CCc1ccccn1
InChIInChI=1S/C19H25N3O/c1-4-15-9-8-10-16(5-2)18(15)21-19(23)22(3)14-12-17-11-6-7-13-20-17/h6-11,13H,4-5,12,14H2,1-3H3,(H,21,23)
InChIKeyJYJJNMSBCUZVSH-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.91
Rot. Bonds6

About 3-(2,6-diethylphenyl)-1-methyl-1-(2-pyridin-2-ylethyl)urea

3-(2,6-diethylphenyl)-1-methyl-1-(2-pyridin-2-ylethyl)urea (PubChem CID 86987284) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is 3-(2,6-diethylphenyl)-1-methyl-1-(2-pyridin-2-ylethyl)urea.

Molecular Properties

Compound Name3-(2,6-diethylphenyl)-1-methyl-1-(2-pyridin-2-ylethyl)urea
PubChem CID86987284
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name3-(2,6-diethylphenyl)-1-methyl-1-(2-pyridin-2-ylethyl)urea
SMILESCCc1cccc(CC)c1NC(=O)N(C)CCc1ccccn1
InChIInChI=1S/C19H25N3O/c1-4-15-9-8-10-16(5-2)18(15)21-19(23)22(3)14-12-17-11-6-7-13-20-17/h6-11,13H,4-5,12,14H2,1-3H3,(H,21,23)
InChIKeyJYJJNMSBCUZVSH-UHFFFAOYSA-N
XLogP3.91
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,6-diethylphenyl)-1-methyl-1-(pyridin-2-ylmethyl)urea
CID 47489186
1-ethyl-3-(2-ethyl-6-propan-2-ylphenyl)-1-(2-pyridin-2-ylethyl)urea
CID 23988043
3-(2-methoxyphenyl)-1-methyl-1-(2-pyridin-2-ylethyl)urea
CID 16612937
1-methyl-1-(2-pyridin-2-ylethyl)-3-[4-(triazol-2-yl)phenyl]urea
CID 86994772
ethane;N-methyl-N-(2-pyridin-2-ylethyl)acetamide
CID 143678158
N'-(2,6-diethylphenyl)-N-(pyridin-2-ylmethyl)oxamide
CID 108511400
2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoacetic acid
CID 43445021
(2R)-4-amino-2-[[methyl(2-pyridin-2-ylethyl)carbamoyl]amino]-4-oxobutanoic acid
CID 107826008
N-(2,6-diethylphenyl)pyridine-2-carboxamide
CID 19224278
2-[(2,6-diethylphenyl)carbamoyl-methylamino]acetic acid
CID 43318386
3,3-dimethyl-2-[[methyl(2-pyridin-2-ylethyl)carbamoyl]amino]butanoic acid
CID 61196298
3-(2-chloro-4-methoxyphenyl)-1-methyl-1-(2-pyridin-2-ylethyl)urea
CID 86862798

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-diethylphenyl)-1-methyl-1-(2-pyridin-2-ylethyl)urea?
The IUPAC name of 3-(2,6-diethylphenyl)-1-methyl-1-(2-pyridin-2-ylethyl)urea (CID 86987284) is 3-(2,6-diethylphenyl)-1-methyl-1-(2-pyridin-2-ylethyl)urea.
What is the SMILES notation for 3-(2,6-diethylphenyl)-1-methyl-1-(2-pyridin-2-ylethyl)urea?
The canonical SMILES for 3-(2,6-diethylphenyl)-1-methyl-1-(2-pyridin-2-ylethyl)urea is CCc1cccc(CC)c1NC(=O)N(C)CCc1ccccn1.
What is the InChIKey of 3-(2,6-diethylphenyl)-1-methyl-1-(2-pyridin-2-ylethyl)urea?
The InChIKey is JYJJNMSBCUZVSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-4-15-9-8-10-16(5-2)18(15)21-19(23)22(3)14-12-17-11-6-7-13-20-17/h6-11,13H,4-5,12,14H2,1-3H3,(H,21,23).
What are the key properties of 3-(2,6-diethylphenyl)-1-methyl-1-(2-pyridin-2-ylethyl)urea?
3-(2,6-diethylphenyl)-1-methyl-1-(2-pyridin-2-ylethyl)urea has a molecular weight of 311.43 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-diethylphenyl)-1-methyl-1-(2-pyridin-2-ylethyl)urea is sourced from PubChem (CID 86987284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).