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

C23H25N3O3 — CID 87009807

IUPAC1-(4-propan-2-yloxyphenyl)-3-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]urea
SMILESCC(C)Oc1ccc(NC(=O)NCc2ccc(OCc3ccccn3)cc2)cc1
InChIInChI=1S/C23H25N3O3/c1-17(2)29-22-12-8-19(9-13-22)26-23(27)25-15-18-6-10-21(11-7-18)28-16-20-5-3-4-14-24-20/h3-14,17H,15-16H2,1-2H3,(H2,25,26,27)
InChIKeySWCUFLCWXMDFBZ-UHFFFAOYSA-N
MW391.47 g/mol
LogP4.77
Rot. Bonds8

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

1-(4-propan-2-yloxyphenyl)-3-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]urea (PubChem CID 87009807) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is 1-(4-propan-2-yloxyphenyl)-3-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]urea.

Molecular Properties

Compound Name1-(4-propan-2-yloxyphenyl)-3-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]urea
PubChem CID87009807
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name1-(4-propan-2-yloxyphenyl)-3-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]urea
SMILESCC(C)Oc1ccc(NC(=O)NCc2ccc(OCc3ccccn3)cc2)cc1
InChIInChI=1S/C23H25N3O3/c1-17(2)29-22-12-8-19(9-13-22)26-23(27)25-15-18-6-10-21(11-7-18)28-16-20-5-3-4-14-24-20/h3-14,17H,15-16H2,1-2H3,(H2,25,26,27)
InChIKeySWCUFLCWXMDFBZ-UHFFFAOYSA-N
XLogP4.77
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(4-propan-2-yloxyphenyl)-3-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]urea with MolForge

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Related Compounds

1-[4-(cyanomethyl)phenyl]-3-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]urea
CID 87009274
1-[2-(dimethylamino)phenyl]-3-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]urea
CID 87009605
1-(2-chloro-4-methoxyphenyl)-3-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]urea
CID 86862763
N-(4-propan-2-yloxyphenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109258756
1-(2-chloro-4-propan-2-yloxyphenyl)-3-(pyridin-2-ylmethyl)urea
CID 99823700
1-[(3-methyl-1-benzofuran-2-yl)methyl]-3-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]urea
CID 86960076
methyl 2-[[4-[(4-propan-2-yloxyphenyl)methylcarbamoylamino]benzoyl]amino]acetate
CID 47033094
2-methyl-N-[4-methyl-3-[[3-(pyridin-2-ylmethoxy)phenyl]methylcarbamoylamino]phenyl]propanamide
CID 55743101
1-[(4-methylphenyl)methyl]-3-[4-(pyridin-3-ylmethoxy)phenyl]urea
CID 156825214
methyl 2-[4-(pyridin-2-ylmethoxy)phenyl]acetate
CID 23549386
1-[[4-(pyridin-2-ylmethoxy)phenyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 166284946
5-(phenoxymethyl)-N-[4-[(4-propan-2-yloxyphenyl)methylcarbamoyl]phenyl]-1,3,4-thiadiazole-2-carboxamide
CID 46332642

Frequently Asked Questions

What is the IUPAC name of 1-(4-propan-2-yloxyphenyl)-3-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]urea?
The IUPAC name of 1-(4-propan-2-yloxyphenyl)-3-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]urea (CID 87009807) is 1-(4-propan-2-yloxyphenyl)-3-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]urea.
What is the SMILES notation for 1-(4-propan-2-yloxyphenyl)-3-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]urea?
The canonical SMILES for 1-(4-propan-2-yloxyphenyl)-3-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]urea is CC(C)Oc1ccc(NC(=O)NCc2ccc(OCc3ccccn3)cc2)cc1.
What is the InChIKey of 1-(4-propan-2-yloxyphenyl)-3-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]urea?
The InChIKey is SWCUFLCWXMDFBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-17(2)29-22-12-8-19(9-13-22)26-23(27)25-15-18-6-10-21(11-7-18)28-16-20-5-3-4-14-24-20/h3-14,17H,15-16H2,1-2H3,(H2,25,26,27).
What are the key properties of 1-(4-propan-2-yloxyphenyl)-3-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]urea?
1-(4-propan-2-yloxyphenyl)-3-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]urea has a molecular weight of 391.47 g/mol, XLogP of 4.77, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propan-2-yloxyphenyl)-3-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]urea is sourced from PubChem (CID 87009807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).