1-methyl-3-(4-phenoxyphenyl)-1-(1-pyridin-4-ylpropan-2-yl)urea

C22H23N3O2 — CID 10915401

IUPAC1-methyl-3-(4-phenoxyphenyl)-1-(1-pyridin-4-ylpropan-2-yl)urea
SMILESCC(Cc1ccncc1)N(C)C(=O)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C22H23N3O2/c1-17(16-18-12-14-23-15-13-18)25(2)22(26)24-19-8-10-21(11-9-19)27-20-6-4-3-5-7-20/h3-15,17H,16H2,1-2H3,(H,24,26)
InChIKeyRGEGOFLLWVRBMG-UHFFFAOYSA-N
MW361.45 g/mol
LogP4.97
Rot. Bonds6

About 1-methyl-3-(4-phenoxyphenyl)-1-(1-pyridin-4-ylpropan-2-yl)urea

1-methyl-3-(4-phenoxyphenyl)-1-(1-pyridin-4-ylpropan-2-yl)urea (PubChem CID 10915401) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 1-methyl-3-(4-phenoxyphenyl)-1-(1-pyridin-4-ylpropan-2-yl)urea.

Molecular Properties

Compound Name1-methyl-3-(4-phenoxyphenyl)-1-(1-pyridin-4-ylpropan-2-yl)urea
PubChem CID10915401
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name1-methyl-3-(4-phenoxyphenyl)-1-(1-pyridin-4-ylpropan-2-yl)urea
SMILESCC(Cc1ccncc1)N(C)C(=O)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C22H23N3O2/c1-17(16-18-12-14-23-15-13-18)25(2)22(26)24-19-8-10-21(11-9-19)27-20-6-4-3-5-7-20/h3-15,17H,16H2,1-2H3,(H,24,26)
InChIKeyRGEGOFLLWVRBMG-UHFFFAOYSA-N
XLogP4.97
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-(Pyridin-4-yloxy)phenyl)-3-(3-(trifluoromethyl)phenyl)urea
CID 15942672
3-[3-(Benzyloxy)pyridin-2-yl]-1-phenylurea
CID 3663276
1-(2-(2-Tert-butylphenoxy)pyridin-3-yl)-3-(4-(trifluoromethoxy)phenyl)urea
CID 11510579
Jnj-40355003
CID 46863664
Rho-Kinase-IN-2
CID 155749520
4-(3-fluoranylpyridin-4-yl)-~{N}-[(1~{R})-1-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 155749636
nicotinaldehyde O-4-(decyloxy)phenylcarbamoyl oxime
CID 20872720
nicotinaldehyde O-4-(dodecyloxy)phenylcarbamoyl oxime
CID 20872721
nicotinaldehyde O-4-(nonyloxy)phenylcarbamoyl oxime
CID 20872725
nicotinaldehyde O-4-(octyloxy)phenylcarbamoyl oxime
CID 20872726
nicotinaldehyde O-4-(undecyloxy)phenylcarbamoyl oxime
CID 20872732
1-(1-Isonicotinoylpiperidin-4-yl)-3-(4-(trifluoromethoxy)phenyl)urea
CID 44468933

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(4-phenoxyphenyl)-1-(1-pyridin-4-ylpropan-2-yl)urea?
The IUPAC name of 1-methyl-3-(4-phenoxyphenyl)-1-(1-pyridin-4-ylpropan-2-yl)urea (CID 10915401) is 1-methyl-3-(4-phenoxyphenyl)-1-(1-pyridin-4-ylpropan-2-yl)urea.
What is the SMILES notation for 1-methyl-3-(4-phenoxyphenyl)-1-(1-pyridin-4-ylpropan-2-yl)urea?
The canonical SMILES for 1-methyl-3-(4-phenoxyphenyl)-1-(1-pyridin-4-ylpropan-2-yl)urea is CC(Cc1ccncc1)N(C)C(=O)Nc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 1-methyl-3-(4-phenoxyphenyl)-1-(1-pyridin-4-ylpropan-2-yl)urea?
The InChIKey is RGEGOFLLWVRBMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-17(16-18-12-14-23-15-13-18)25(2)22(26)24-19-8-10-21(11-9-19)27-20-6-4-3-5-7-20/h3-15,17H,16H2,1-2H3,(H,24,26).
What are the key properties of 1-methyl-3-(4-phenoxyphenyl)-1-(1-pyridin-4-ylpropan-2-yl)urea?
1-methyl-3-(4-phenoxyphenyl)-1-(1-pyridin-4-ylpropan-2-yl)urea has a molecular weight of 361.45 g/mol, XLogP of 4.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(4-phenoxyphenyl)-1-(1-pyridin-4-ylpropan-2-yl)urea is sourced from PubChem (CID 10915401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).