3-(2-methoxyphenyl)-1-methyl-1-(2-pyridin-2-ylethyl)urea

C16H19N3O2 — CID 16612937

IUPAC3-(2-methoxyphenyl)-1-methyl-1-(2-pyridin-2-ylethyl)urea
SMILESCOc1ccccc1NC(=O)N(C)CCc1ccccn1
InChIInChI=1S/C16H19N3O2/c1-19(12-10-13-7-5-6-11-17-13)16(20)18-14-8-3-4-9-15(14)21-2/h3-9,11H,10,12H2,1-2H3,(H,18,20)
InChIKeyUNJLQKLTCWFBBC-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.80
Rot. Bonds5

About 3-(2-methoxyphenyl)-1-methyl-1-(2-pyridin-2-ylethyl)urea

3-(2-methoxyphenyl)-1-methyl-1-(2-pyridin-2-ylethyl)urea (PubChem CID 16612937) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-1-methyl-1-(2-pyridin-2-ylethyl)urea.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-1-methyl-1-(2-pyridin-2-ylethyl)urea
PubChem CID16612937
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name3-(2-methoxyphenyl)-1-methyl-1-(2-pyridin-2-ylethyl)urea
SMILESCOc1ccccc1NC(=O)N(C)CCc1ccccn1
InChIInChI=1S/C16H19N3O2/c1-19(12-10-13-7-5-6-11-17-13)16(20)18-14-8-3-4-9-15(14)21-2/h3-9,11H,10,12H2,1-2H3,(H,18,20)
InChIKeyUNJLQKLTCWFBBC-UHFFFAOYSA-N
XLogP2.80
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-chloro-4-methoxyphenyl)-1-methyl-1-(2-pyridin-2-ylethyl)urea
CID 86862798
3-(2,6-diethylphenyl)-1-methyl-1-(2-pyridin-2-ylethyl)urea
CID 86987284
(Z)-4-(2-methoxyphenyl)-N,3-dimethyl-N-(2-pyridin-2-ylethyl)but-2-enamide
CID 98289260
2-methoxy-N-[4-methyl-3-[[methyl(2-pyridin-2-ylethyl)carbamoyl]amino]phenyl]acetamide
CID 72842851
2-(2-methoxyphenoxy)-N-methyl-N-(2-pyridin-2-ylethyl)acetamide;phosphoric acid
CID 134110040
3-(2-methoxyphenyl)-1,1-dimethylurea
CID 4216204
1-methyl-1-(2-pyridin-2-ylethyl)-3-[4-(triazol-2-yl)phenyl]urea
CID 86994772
1-[2-(dimethylamino)ethyl]-1-ethyl-3-[2-(pyridin-2-ylmethoxy)phenyl]urea
CID 72892352
1-[(3,4-dimethoxyphenyl)methyl]-3-(2-methylphenyl)-1-(2-pyridin-2-ylethyl)urea
CID 42697255
ethane;N-methyl-N-(2-pyridin-2-ylethyl)acetamide
CID 143678158
3-[acetyl(pyridin-2-ylmethyl)amino]-N-(2-methoxyphenyl)propanamide
CID 113120272
1-(2-aminopropyl)-3-(2-methoxyphenyl)-1-methylurea
CID 63766734

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-1-methyl-1-(2-pyridin-2-ylethyl)urea?
The IUPAC name of 3-(2-methoxyphenyl)-1-methyl-1-(2-pyridin-2-ylethyl)urea (CID 16612937) is 3-(2-methoxyphenyl)-1-methyl-1-(2-pyridin-2-ylethyl)urea.
What is the SMILES notation for 3-(2-methoxyphenyl)-1-methyl-1-(2-pyridin-2-ylethyl)urea?
The canonical SMILES for 3-(2-methoxyphenyl)-1-methyl-1-(2-pyridin-2-ylethyl)urea is COc1ccccc1NC(=O)N(C)CCc1ccccn1.
What is the InChIKey of 3-(2-methoxyphenyl)-1-methyl-1-(2-pyridin-2-ylethyl)urea?
The InChIKey is UNJLQKLTCWFBBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-19(12-10-13-7-5-6-11-17-13)16(20)18-14-8-3-4-9-15(14)21-2/h3-9,11H,10,12H2,1-2H3,(H,18,20).
What are the key properties of 3-(2-methoxyphenyl)-1-methyl-1-(2-pyridin-2-ylethyl)urea?
3-(2-methoxyphenyl)-1-methyl-1-(2-pyridin-2-ylethyl)urea has a molecular weight of 285.35 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-1-methyl-1-(2-pyridin-2-ylethyl)urea is sourced from PubChem (CID 16612937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).