1-[2-(dimethylamino)phenyl]-3-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]urea

C22H24N4O2 — CID 87009605

IUPAC1-[2-(dimethylamino)phenyl]-3-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]urea
SMILESCN(C)c1ccccc1NC(=O)NCc1ccc(OCc2ccccn2)cc1
InChIInChI=1S/C22H24N4O2/c1-26(2)21-9-4-3-8-20(21)25-22(27)24-15-17-10-12-19(13-11-17)28-16-18-7-5-6-14-23-18/h3-14H,15-16H2,1-2H3,(H2,24,25,27)
InChIKeyGHOGOIUFYHXBEY-UHFFFAOYSA-N
MW376.46 g/mol
LogP4.05
Rot. Bonds7

About 1-[2-(dimethylamino)phenyl]-3-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]urea

1-[2-(dimethylamino)phenyl]-3-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]urea (PubChem CID 87009605) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 1-[2-(dimethylamino)phenyl]-3-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]urea.

Molecular Properties

Compound Name1-[2-(dimethylamino)phenyl]-3-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]urea
PubChem CID87009605
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name1-[2-(dimethylamino)phenyl]-3-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]urea
SMILESCN(C)c1ccccc1NC(=O)NCc1ccc(OCc2ccccn2)cc1
InChIInChI=1S/C22H24N4O2/c1-26(2)21-9-4-3-8-20(21)25-22(27)24-15-17-10-12-19(13-11-17)28-16-18-7-5-6-14-23-18/h3-14H,15-16H2,1-2H3,(H2,24,25,27)
InChIKeyGHOGOIUFYHXBEY-UHFFFAOYSA-N
XLogP4.05
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-chloro-4-methoxyphenyl)-3-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]urea
CID 86862763
1-benzyl-3-[2-(dimethylamino)phenyl]urea
CID 47202175
1-(4-propan-2-yloxyphenyl)-3-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]urea
CID 87009807
1-[4-(cyanomethyl)phenyl]-3-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]urea
CID 87009274
1-[(3-methyl-1-benzofuran-2-yl)methyl]-3-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]urea
CID 86960076
2-naphthalen-1-yl-N-[2-oxo-2-[[4-(pyridin-2-ylmethoxy)phenyl]methylamino]ethyl]acetamide
CID 56798152
methyl 2-[4-(pyridin-2-ylmethoxy)phenyl]acetate
CID 23549386
3-(dimethylsulfamoyl)-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide
CID 55902266
3,4-dichloro-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide
CID 60534147
N,N-dimethyl-2-(pyridin-2-ylmethoxy)aniline
CID 22438672
1,5-dimethyl-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]pyrazole-4-carboxamide
CID 87047264
2-[4-(pyridin-2-ylmethoxy)phenyl]acetic acid
CID 18958983

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)phenyl]-3-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]urea?
The IUPAC name of 1-[2-(dimethylamino)phenyl]-3-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]urea (CID 87009605) is 1-[2-(dimethylamino)phenyl]-3-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]urea.
What is the SMILES notation for 1-[2-(dimethylamino)phenyl]-3-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]urea?
The canonical SMILES for 1-[2-(dimethylamino)phenyl]-3-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]urea is CN(C)c1ccccc1NC(=O)NCc1ccc(OCc2ccccn2)cc1.
What is the InChIKey of 1-[2-(dimethylamino)phenyl]-3-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]urea?
The InChIKey is GHOGOIUFYHXBEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-26(2)21-9-4-3-8-20(21)25-22(27)24-15-17-10-12-19(13-11-17)28-16-18-7-5-6-14-23-18/h3-14H,15-16H2,1-2H3,(H2,24,25,27).
What are the key properties of 1-[2-(dimethylamino)phenyl]-3-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]urea?
1-[2-(dimethylamino)phenyl]-3-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]urea has a molecular weight of 376.46 g/mol, XLogP of 4.05, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)phenyl]-3-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]urea is sourced from PubChem (CID 87009605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).