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

C18H23N3O — CID 47489186

IUPAC3-(2,6-diethylphenyl)-1-methyl-1-(pyridin-2-ylmethyl)urea
SMILESCCc1cccc(CC)c1NC(=O)N(C)Cc1ccccn1
InChIInChI=1S/C18H23N3O/c1-4-14-9-8-10-15(5-2)17(14)20-18(22)21(3)13-16-11-6-7-12-19-16/h6-12H,4-5,13H2,1-3H3,(H,20,22)
InChIKeyRYXCCSFLHDDHHM-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.87
Rot. Bonds5

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

3-(2,6-diethylphenyl)-1-methyl-1-(pyridin-2-ylmethyl)urea (PubChem CID 47489186) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 3-(2,6-diethylphenyl)-1-methyl-1-(pyridin-2-ylmethyl)urea.

Molecular Properties

Compound Name3-(2,6-diethylphenyl)-1-methyl-1-(pyridin-2-ylmethyl)urea
PubChem CID47489186
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name3-(2,6-diethylphenyl)-1-methyl-1-(pyridin-2-ylmethyl)urea
SMILESCCc1cccc(CC)c1NC(=O)N(C)Cc1ccccn1
InChIInChI=1S/C18H23N3O/c1-4-14-9-8-10-15(5-2)17(14)20-18(22)21(3)13-16-11-6-7-12-19-16/h6-12H,4-5,13H2,1-3H3,(H,20,22)
InChIKeyRYXCCSFLHDDHHM-UHFFFAOYSA-N
XLogP3.87
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,6-diethylphenyl)-1-methyl-1-(2-pyridin-2-ylethyl)urea
CID 86987284
3-(4-iodophenyl)-1-methyl-1-(pyridin-2-ylmethyl)urea
CID 47393550
3-(3-acetylphenyl)-1-methyl-1-(pyridin-2-ylmethyl)urea
CID 61346260
3-(2,3-difluorophenyl)-1-methyl-1-(pyridin-2-ylmethyl)urea
CID 47456776
N'-(2,6-diethylphenyl)-N-(pyridin-2-ylmethyl)oxamide
CID 108511400
N-(2,6-diethylphenyl)pyridine-2-carboxamide
CID 19224278
2-[(2,6-diethylphenyl)carbamoyl-methylamino]acetic acid
CID 43318386
3-[4-[2-(diethylamino)ethyl]phenyl]-1-methyl-1-(pyridin-2-ylmethyl)urea
CID 91652991
(2S)-2-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]propanoic acid
CID 78967862
N-(2,6-diethylphenyl)-3-(pyridin-2-ylmethylamino)propanamide
CID 109023379
3-[(2,3-dimethoxyphenyl)methyl]-1-methyl-1-(pyridin-2-ylmethyl)urea
CID 86841971
1-amino-N-methyl-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide
CID 65466995

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-diethylphenyl)-1-methyl-1-(pyridin-2-ylmethyl)urea?
The IUPAC name of 3-(2,6-diethylphenyl)-1-methyl-1-(pyridin-2-ylmethyl)urea (CID 47489186) is 3-(2,6-diethylphenyl)-1-methyl-1-(pyridin-2-ylmethyl)urea.
What is the SMILES notation for 3-(2,6-diethylphenyl)-1-methyl-1-(pyridin-2-ylmethyl)urea?
The canonical SMILES for 3-(2,6-diethylphenyl)-1-methyl-1-(pyridin-2-ylmethyl)urea is CCc1cccc(CC)c1NC(=O)N(C)Cc1ccccn1.
What is the InChIKey of 3-(2,6-diethylphenyl)-1-methyl-1-(pyridin-2-ylmethyl)urea?
The InChIKey is RYXCCSFLHDDHHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-4-14-9-8-10-15(5-2)17(14)20-18(22)21(3)13-16-11-6-7-12-19-16/h6-12H,4-5,13H2,1-3H3,(H,20,22).
What are the key properties of 3-(2,6-diethylphenyl)-1-methyl-1-(pyridin-2-ylmethyl)urea?
3-(2,6-diethylphenyl)-1-methyl-1-(pyridin-2-ylmethyl)urea has a molecular weight of 297.40 g/mol, XLogP of 3.87, 5 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-(pyridin-2-ylmethyl)urea is sourced from PubChem (CID 47489186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).