1-(4-phenylphenyl)-3-(3-pyridin-4-yloxypropyl)urea

C21H21N3O2 — CID 166219931

IUPAC1-(4-phenylphenyl)-3-(3-pyridin-4-yloxypropyl)urea
SMILESO=C(NCCCOc1ccncc1)Nc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H21N3O2/c25-21(23-13-4-16-26-20-11-14-22-15-12-20)24-19-9-7-18(8-10-19)17-5-2-1-3-6-17/h1-3,5-12,14-15H,4,13,16H2,(H2,23,24,25)
InChIKeyRDDFPZDWZVUKSP-UHFFFAOYSA-N
MW347.42 g/mol
LogP4.34
Rot. Bonds7

About 1-(4-phenylphenyl)-3-(3-pyridin-4-yloxypropyl)urea

1-(4-phenylphenyl)-3-(3-pyridin-4-yloxypropyl)urea (PubChem CID 166219931) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is 1-(4-phenylphenyl)-3-(3-pyridin-4-yloxypropyl)urea.

Molecular Properties

Compound Name1-(4-phenylphenyl)-3-(3-pyridin-4-yloxypropyl)urea
PubChem CID166219931
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name1-(4-phenylphenyl)-3-(3-pyridin-4-yloxypropyl)urea
SMILESO=C(NCCCOc1ccncc1)Nc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H21N3O2/c25-21(23-13-4-16-26-20-11-14-22-15-12-20)24-19-9-7-18(8-10-19)17-5-2-1-3-6-17/h1-3,5-12,14-15H,4,13,16H2,(H2,23,24,25)
InChIKeyRDDFPZDWZVUKSP-UHFFFAOYSA-N
XLogP4.34
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-phenoxybutyl)-3-phenylurea
CID 19353776
1-(4-nitrophenyl)-3-(3-phenoxypropyl)urea
CID 108883092
1-[6-(4-chlorophenoxy)hexyl]-3-pyridin-4-ylurea
CID 67416108
1-(4-fluorophenyl)-3-(2-phenoxyethyl)urea
CID 27870148
N-[3-(3-phenoxypropylcarbamoylamino)phenyl]acetamide
CID 108883171
1-(4-phenylphenyl)-3-(3-phenylpropyl)urea
CID 108867243
phenyl 2-[(4-pyridin-4-ylphenyl)carbamoylamino]acetate
CID 69120668
1-(2-phenoxyethyl)-3-(4-phenylmethoxyphenyl)urea
CID 112969756
1-[3-(4-fluorophenoxy)propyl]-3-(4-pyrimidin-2-yloxyphenyl)urea
CID 86870027
1-(11-phenoxyundecyl)-3-pyridin-4-ylthiourea
CID 23296337
4-(pyridin-4-ylcarbamoylamino)butanoic acid
CID 108892691
ethyl 4-[(4-phenylphenyl)carbamoylamino]butanoate
CID 3344423

Frequently Asked Questions

What is the IUPAC name of 1-(4-phenylphenyl)-3-(3-pyridin-4-yloxypropyl)urea?
The IUPAC name of 1-(4-phenylphenyl)-3-(3-pyridin-4-yloxypropyl)urea (CID 166219931) is 1-(4-phenylphenyl)-3-(3-pyridin-4-yloxypropyl)urea.
What is the SMILES notation for 1-(4-phenylphenyl)-3-(3-pyridin-4-yloxypropyl)urea?
The canonical SMILES for 1-(4-phenylphenyl)-3-(3-pyridin-4-yloxypropyl)urea is O=C(NCCCOc1ccncc1)Nc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-(4-phenylphenyl)-3-(3-pyridin-4-yloxypropyl)urea?
The InChIKey is RDDFPZDWZVUKSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c25-21(23-13-4-16-26-20-11-14-22-15-12-20)24-19-9-7-18(8-10-19)17-5-2-1-3-6-17/h1-3,5-12,14-15H,4,13,16H2,(H2,23,24,25).
What are the key properties of 1-(4-phenylphenyl)-3-(3-pyridin-4-yloxypropyl)urea?
1-(4-phenylphenyl)-3-(3-pyridin-4-yloxypropyl)urea has a molecular weight of 347.42 g/mol, XLogP of 4.34, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenylphenyl)-3-(3-pyridin-4-yloxypropyl)urea is sourced from PubChem (CID 166219931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).