1-[4-(2-methoxyethoxy)phenyl]-3-pentylurea

C15H24N2O3 — CID 47202619

IUPAC1-[4-(2-methoxyethoxy)phenyl]-3-pentylurea
SMILESCCCCCNC(=O)Nc1ccc(OCCOC)cc1
InChIInChI=1S/C15H24N2O3/c1-3-4-5-10-16-15(18)17-13-6-8-14(9-7-13)20-12-11-19-2/h6-9H,3-5,10-12H2,1-2H3,(H2,16,17,18)
InChIKeyBTVZVQYQUDIHIB-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.02
Rot. Bonds9

About 1-[4-(2-methoxyethoxy)phenyl]-3-pentylurea

1-[4-(2-methoxyethoxy)phenyl]-3-pentylurea (PubChem CID 47202619) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-[4-(2-methoxyethoxy)phenyl]-3-pentylurea.

Molecular Properties

Compound Name1-[4-(2-methoxyethoxy)phenyl]-3-pentylurea
PubChem CID47202619
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name1-[4-(2-methoxyethoxy)phenyl]-3-pentylurea
SMILESCCCCCNC(=O)Nc1ccc(OCCOC)cc1
InChIInChI=1S/C15H24N2O3/c1-3-4-5-10-16-15(18)17-13-6-8-14(9-7-13)20-12-11-19-2/h6-9H,3-5,10-12H2,1-2H3,(H2,16,17,18)
InChIKeyBTVZVQYQUDIHIB-UHFFFAOYSA-N
XLogP3.02
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.02
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-dodecyl-3-(4-methoxyphenyl)urea
CID 172727415
N'-(4-butoxyphenyl)-N-heptyloxamide
CID 17201915
2-(hexadecylamino)-N-[4-(2-methoxyethoxy)phenyl]acetamide
CID 54808989
N-hexadecyl-2-[4-(2-methoxyethoxy)anilino]acetamide
CID 54822487
1-(4-butoxyphenyl)-3-(3-hydroxy-4,4-dimethylpentyl)urea
CID 90523657
N-pentyl-N'-(4-propoxyphenyl)oxamide
CID 124624768
1-[4-[4-(4-hydroxyphenoxy)phenoxy]phenyl]-3-octadecylurea
CID 18183904
1-(4-butoxyphenyl)-3-methylurea
CID 127511148
N-(2-methoxyethyl)-4-[(4-pentoxybenzoyl)amino]benzamide
CID 17218273
1-(4-dibutoxyphosphorylphenyl)-3-docosylurea
CID 18968654
1-[4-(2-aminoethoxy)phenyl]-3-propylurea
CID 43175658
1-ethyl-3-(4-propoxyphenyl)urea
CID 115881886

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methoxyethoxy)phenyl]-3-pentylurea?
The IUPAC name of 1-[4-(2-methoxyethoxy)phenyl]-3-pentylurea (CID 47202619) is 1-[4-(2-methoxyethoxy)phenyl]-3-pentylurea.
What is the SMILES notation for 1-[4-(2-methoxyethoxy)phenyl]-3-pentylurea?
The canonical SMILES for 1-[4-(2-methoxyethoxy)phenyl]-3-pentylurea is CCCCCNC(=O)Nc1ccc(OCCOC)cc1.
What is the InChIKey of 1-[4-(2-methoxyethoxy)phenyl]-3-pentylurea?
The InChIKey is BTVZVQYQUDIHIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-3-4-5-10-16-15(18)17-13-6-8-14(9-7-13)20-12-11-19-2/h6-9H,3-5,10-12H2,1-2H3,(H2,16,17,18).
What are the key properties of 1-[4-(2-methoxyethoxy)phenyl]-3-pentylurea?
1-[4-(2-methoxyethoxy)phenyl]-3-pentylurea has a molecular weight of 280.37 g/mol, XLogP of 3.02, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methoxyethoxy)phenyl]-3-pentylurea is sourced from PubChem (CID 47202619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).