1-(4-methoxybutyl)-3-(2-phenoxy-3-pyridinyl)urea

C17H21N3O3 — CID 47041319

IUPAC1-(4-methoxybutyl)-3-(2-phenoxy-3-pyridinyl)urea
SMILESCOCCCCNC(=O)Nc1cccnc1Oc1ccccc1
InChIInChI=1S/C17H21N3O3/c1-22-13-6-5-11-19-17(21)20-15-10-7-12-18-16(15)23-14-8-3-2-4-9-14/h2-4,7-10,12H,5-6,11,13H2,1H3,(H2,19,20,21)
InChIKeyOYHNZQMOLDYSNL-UHFFFAOYSA-N
MW315.37 g/mol
LogP3.42
Rot. Bonds8

About 1-(4-methoxybutyl)-3-(2-phenoxy-3-pyridinyl)urea

1-(4-methoxybutyl)-3-(2-phenoxy-3-pyridinyl)urea (PubChem CID 47041319) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 1-(4-methoxybutyl)-3-(2-phenoxy-3-pyridinyl)urea.

Molecular Properties

Compound Name1-(4-methoxybutyl)-3-(2-phenoxy-3-pyridinyl)urea
PubChem CID47041319
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name1-(4-methoxybutyl)-3-(2-phenoxy-3-pyridinyl)urea
SMILESCOCCCCNC(=O)Nc1cccnc1Oc1ccccc1
InChIInChI=1S/C17H21N3O3/c1-22-13-6-5-11-19-17(21)20-15-10-7-12-18-16(15)23-14-8-3-2-4-9-14/h2-4,7-10,12H,5-6,11,13H2,1H3,(H2,19,20,21)
InChIKeyOYHNZQMOLDYSNL-UHFFFAOYSA-N
XLogP3.42
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-phenoxy-3-pyridinyl)-3-propylurea
CID 47041336
1-(2-methoxyethyl)-3-(2-methoxy-3-pyridinyl)urea
CID 47223034
3-(3-methoxypropyl)-1-methyl-1-[(2-phenoxy-3-pyridinyl)methyl]urea
CID 53185077
2-[2-(4-methoxybutylcarbamoylamino)phenoxy]acetic acid
CID 63747383
1-(furan-2-ylmethyl)-3-(2-phenoxy-3-pyridinyl)urea
CID 47041330
1-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(2-phenoxy-3-pyridinyl)urea
CID 51953485
1-[2-(benzenesulfonyl)ethyl]-3-(2-methoxy-3-pyridinyl)urea
CID 51085372
N-[(3S)-1,1-dioxothiolan-3-yl]-3-[(2-phenoxy-3-pyridinyl)carbamoylamino]propanamide
CID 52511996
N-(3-methoxypropyl)-2-(3-phenoxypyrazin-2-yl)sulfanylacetamide
CID 53130117
1-[2-(ethoxymethyl)phenyl]-3-(5-methoxypentyl)urea
CID 86871424
1-(2,3-difluorophenyl)-3-(5-methoxypentyl)urea
CID 86871522
N-[2-(4-methoxyphenoxy)-3-pyridinyl]acetamide
CID 154411578

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxybutyl)-3-(2-phenoxy-3-pyridinyl)urea?
The IUPAC name of 1-(4-methoxybutyl)-3-(2-phenoxy-3-pyridinyl)urea (CID 47041319) is 1-(4-methoxybutyl)-3-(2-phenoxy-3-pyridinyl)urea.
What is the SMILES notation for 1-(4-methoxybutyl)-3-(2-phenoxy-3-pyridinyl)urea?
The canonical SMILES for 1-(4-methoxybutyl)-3-(2-phenoxy-3-pyridinyl)urea is COCCCCNC(=O)Nc1cccnc1Oc1ccccc1.
What is the InChIKey of 1-(4-methoxybutyl)-3-(2-phenoxy-3-pyridinyl)urea?
The InChIKey is OYHNZQMOLDYSNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-22-13-6-5-11-19-17(21)20-15-10-7-12-18-16(15)23-14-8-3-2-4-9-14/h2-4,7-10,12H,5-6,11,13H2,1H3,(H2,19,20,21).
What are the key properties of 1-(4-methoxybutyl)-3-(2-phenoxy-3-pyridinyl)urea?
1-(4-methoxybutyl)-3-(2-phenoxy-3-pyridinyl)urea has a molecular weight of 315.37 g/mol, XLogP of 3.42, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxybutyl)-3-(2-phenoxy-3-pyridinyl)urea is sourced from PubChem (CID 47041319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).