3-[4-[2-(4,6-dimethyl-2-pyridinyl)ethoxy]phenyl]-1,1-dimethylurea

C18H23N3O2 — CID 13314814

IUPAC3-[4-[2-(4,6-dimethyl-2-pyridinyl)ethoxy]phenyl]-1,1-dimethylurea
SMILESCc1cc(C)nc(CCOc2ccc(NC(=O)N(C)C)cc2)c1
InChIInChI=1S/C18H23N3O2/c1-13-11-14(2)19-16(12-13)9-10-23-17-7-5-15(6-8-17)20-18(22)21(3)4/h5-8,11-12H,9-10H2,1-4H3,(H,20,22)
InChIKeyXOHOOUSUGJANDS-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.41
Rot. Bonds5

About 3-[4-[2-(4,6-dimethyl-2-pyridinyl)ethoxy]phenyl]-1,1-dimethylurea

3-[4-[2-(4,6-dimethyl-2-pyridinyl)ethoxy]phenyl]-1,1-dimethylurea (PubChem CID 13314814) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 3-[4-[2-(4,6-dimethyl-2-pyridinyl)ethoxy]phenyl]-1,1-dimethylurea.

Molecular Properties

Compound Name3-[4-[2-(4,6-dimethyl-2-pyridinyl)ethoxy]phenyl]-1,1-dimethylurea
PubChem CID13314814
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name3-[4-[2-(4,6-dimethyl-2-pyridinyl)ethoxy]phenyl]-1,1-dimethylurea
SMILESCc1cc(C)nc(CCOc2ccc(NC(=O)N(C)C)cc2)c1
InChIInChI=1S/C18H23N3O2/c1-13-11-14(2)19-16(12-13)9-10-23-17-7-5-15(6-8-17)20-18(22)21(3)4/h5-8,11-12H,9-10H2,1-4H3,(H,20,22)
InChIKeyXOHOOUSUGJANDS-UHFFFAOYSA-N
XLogP3.41
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-[(4,6-dimethyl-2-pyridinyl)oxy]phenyl]-1,1-dimethylurea
CID 21391449
ethyl 2-[4-(dimethylcarbamoylamino)phenoxy]acetate
CID 23823192
5-[[4-[2-(4,6-dimethyl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 14546516
2-[4-(3,5-dimethylphenoxy)phenoxy]-N-(4-methoxyphenyl)acetamide
CID 18870428
3-[4-[2-(4-chlorophenyl)ethoxy]phenyl]-1-methoxy-1-methylurea
CID 12953558
N-[4-[2-(4-methylphenyl)ethoxy]phenyl]acetamide
CID 13017655
methyl 2-[4-[3-(3,5-dimethylphenoxy)propanoylamino]phenoxy]acetate
CID 55709060
N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-2-methoxyacetamide
CID 108742534
1,1-dimethyl-3-[4-(3-prop-2-ynoxyphenoxy)phenyl]urea
CID 20507025
1-methoxy-1-methyl-3-[4-[(3-methylphenyl)methoxy]phenyl]urea
CID 12893509
2-[(4-methoxyphenyl)carbamoyl-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 51226266
3-(4-fluorophenoxy)-N-(4-methylphenyl)propanamide
CID 31855578

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(4,6-dimethyl-2-pyridinyl)ethoxy]phenyl]-1,1-dimethylurea?
The IUPAC name of 3-[4-[2-(4,6-dimethyl-2-pyridinyl)ethoxy]phenyl]-1,1-dimethylurea (CID 13314814) is 3-[4-[2-(4,6-dimethyl-2-pyridinyl)ethoxy]phenyl]-1,1-dimethylurea.
What is the SMILES notation for 3-[4-[2-(4,6-dimethyl-2-pyridinyl)ethoxy]phenyl]-1,1-dimethylurea?
The canonical SMILES for 3-[4-[2-(4,6-dimethyl-2-pyridinyl)ethoxy]phenyl]-1,1-dimethylurea is Cc1cc(C)nc(CCOc2ccc(NC(=O)N(C)C)cc2)c1.
What is the InChIKey of 3-[4-[2-(4,6-dimethyl-2-pyridinyl)ethoxy]phenyl]-1,1-dimethylurea?
The InChIKey is XOHOOUSUGJANDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-13-11-14(2)19-16(12-13)9-10-23-17-7-5-15(6-8-17)20-18(22)21(3)4/h5-8,11-12H,9-10H2,1-4H3,(H,20,22).
What are the key properties of 3-[4-[2-(4,6-dimethyl-2-pyridinyl)ethoxy]phenyl]-1,1-dimethylurea?
3-[4-[2-(4,6-dimethyl-2-pyridinyl)ethoxy]phenyl]-1,1-dimethylurea has a molecular weight of 313.40 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(4,6-dimethyl-2-pyridinyl)ethoxy]phenyl]-1,1-dimethylurea is sourced from PubChem (CID 13314814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).