1-(1-phenyl-2-propan-2-yloxyethyl)-3-(4-pyridin-4-ylphenyl)urea

C23H25N3O2 — CID 167295399

IUPAC1-(1-phenyl-2-propan-2-yloxyethyl)-3-(4-pyridin-4-ylphenyl)urea
SMILESCC(C)OCC(NC(=O)Nc1ccc(-c2ccncc2)cc1)c1ccccc1
InChIInChI=1S/C23H25N3O2/c1-17(2)28-16-22(20-6-4-3-5-7-20)26-23(27)25-21-10-8-18(9-11-21)19-12-14-24-15-13-19/h3-15,17,22H,16H2,1-2H3,(H2,25,26,27)
InChIKeyRYWSBSCMZONKKY-UHFFFAOYSA-N
MW375.47 g/mol
LogP5.04
Rot. Bonds7

About 1-(1-phenyl-2-propan-2-yloxyethyl)-3-(4-pyridin-4-ylphenyl)urea

1-(1-phenyl-2-propan-2-yloxyethyl)-3-(4-pyridin-4-ylphenyl)urea (PubChem CID 167295399) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 1-(1-phenyl-2-propan-2-yloxyethyl)-3-(4-pyridin-4-ylphenyl)urea.

Molecular Properties

Compound Name1-(1-phenyl-2-propan-2-yloxyethyl)-3-(4-pyridin-4-ylphenyl)urea
PubChem CID167295399
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name1-(1-phenyl-2-propan-2-yloxyethyl)-3-(4-pyridin-4-ylphenyl)urea
SMILESCC(C)OCC(NC(=O)Nc1ccc(-c2ccncc2)cc1)c1ccccc1
InChIInChI=1S/C23H25N3O2/c1-17(2)28-16-22(20-6-4-3-5-7-20)26-23(27)25-21-10-8-18(9-11-21)19-12-14-24-15-13-19/h3-15,17,22H,16H2,1-2H3,(H2,25,26,27)
InChIKeyRYWSBSCMZONKKY-UHFFFAOYSA-N
XLogP5.04
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.47
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-hydroxy-1-phenylethyl)-3-(4-pyridin-4-ylphenyl)urea
CID 56593240
1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-(4-pyridin-4-ylphenyl)urea
CID 70681396
[2-phenyl-2-[(4-pyridin-4-ylphenyl)carbamoylamino]acetyl] 2,2,2-trifluoroacetate
CID 174568511
1-[(1R)-3-hydroxy-1-phenylpropyl]-3-(4-methylphenyl)urea
CID 111450296
1-benzhydryl-3-(4-phenylphenyl)urea
CID 108867015
1-(4-methoxyphenyl)-3-(1-phenylpropyl)urea
CID 6469359
3-[(4-methoxyphenyl)carbamoylamino]-3-phenylpropanoic acid
CID 16772233
1-(4-bromophenyl)-3-(1-phenylpropyl)urea
CID 3395265
2-[(4-phenylphenyl)carbamoylamino]propanoic acid
CID 62254578
1-(4-ethoxyphenyl)-3-[(1S)-1-phenylpropyl]urea
CID 40635808
1-[3-(difluoromethyl)phenyl]-3-[(1S)-1-pyridin-4-ylpropyl]urea
CID 97318670
1-[(1S)-2-hydroxy-1-phenylethyl]-3-[4-(thiadiazol-4-yl)phenyl]urea
CID 56826995

Frequently Asked Questions

What is the IUPAC name of 1-(1-phenyl-2-propan-2-yloxyethyl)-3-(4-pyridin-4-ylphenyl)urea?
The IUPAC name of 1-(1-phenyl-2-propan-2-yloxyethyl)-3-(4-pyridin-4-ylphenyl)urea (CID 167295399) is 1-(1-phenyl-2-propan-2-yloxyethyl)-3-(4-pyridin-4-ylphenyl)urea.
What is the SMILES notation for 1-(1-phenyl-2-propan-2-yloxyethyl)-3-(4-pyridin-4-ylphenyl)urea?
The canonical SMILES for 1-(1-phenyl-2-propan-2-yloxyethyl)-3-(4-pyridin-4-ylphenyl)urea is CC(C)OCC(NC(=O)Nc1ccc(-c2ccncc2)cc1)c1ccccc1.
What is the InChIKey of 1-(1-phenyl-2-propan-2-yloxyethyl)-3-(4-pyridin-4-ylphenyl)urea?
The InChIKey is RYWSBSCMZONKKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-17(2)28-16-22(20-6-4-3-5-7-20)26-23(27)25-21-10-8-18(9-11-21)19-12-14-24-15-13-19/h3-15,17,22H,16H2,1-2H3,(H2,25,26,27).
What are the key properties of 1-(1-phenyl-2-propan-2-yloxyethyl)-3-(4-pyridin-4-ylphenyl)urea?
1-(1-phenyl-2-propan-2-yloxyethyl)-3-(4-pyridin-4-ylphenyl)urea has a molecular weight of 375.47 g/mol, XLogP of 5.04, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenyl-2-propan-2-yloxyethyl)-3-(4-pyridin-4-ylphenyl)urea is sourced from PubChem (CID 167295399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).