1-butyl-3-(2,5-diethoxyphenyl)urea

C15H24N2O3 — CID 115569945

IUPAC1-butyl-3-(2,5-diethoxyphenyl)urea
SMILESCCCCNC(=O)Nc1cc(OCC)ccc1OCC
InChIInChI=1S/C15H24N2O3/c1-4-7-10-16-15(18)17-13-11-12(19-5-2)8-9-14(13)20-6-3/h8-9,11H,4-7,10H2,1-3H3,(H2,16,17,18)
InChIKeyRHTGVXPOCLZXNM-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.41
Rot. Bonds8

About 1-butyl-3-(2,5-diethoxyphenyl)urea

1-butyl-3-(2,5-diethoxyphenyl)urea (PubChem CID 115569945) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-butyl-3-(2,5-diethoxyphenyl)urea.

Molecular Properties

Compound Name1-butyl-3-(2,5-diethoxyphenyl)urea
PubChem CID115569945
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name1-butyl-3-(2,5-diethoxyphenyl)urea
SMILESCCCCNC(=O)Nc1cc(OCC)ccc1OCC
InChIInChI=1S/C15H24N2O3/c1-4-7-10-16-15(18)17-13-11-12(19-5-2)8-9-14(13)20-6-3/h8-9,11H,4-7,10H2,1-3H3,(H2,16,17,18)
InChIKeyRHTGVXPOCLZXNM-UHFFFAOYSA-N
XLogP3.41
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.41
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

2-chloro-N-[(2,5-diethoxyphenyl)carbamoyl]acetamide
CID 43328839
3-[(2-ethoxy-5-methoxyphenyl)carbamoylamino]propanoic acid
CID 122079532
1-butyl-3-[5-[(4-ethoxyphenyl)sulfamoyl]-2-methoxyphenyl]urea
CID 4799139
N-(2,5-diethoxyphenyl)-2-methoxypropanamide
CID 47301395
(2R)-2-amino-N-(2,5-diethoxyphenyl)pentanamide
CID 103794070
1-(2,5-diethoxyphenyl)-3-(2,4-difluorophenyl)urea
CID 46859658
N-(2,5-diethoxyphenyl)-2-methoxyacetamide
CID 34737899
N-(2,5-diethoxyphenyl)-5-hydroxypentanamide
CID 79198989
4-[(5-bromo-2-ethoxyphenyl)carbamoylamino]butanoic acid
CID 122079209
N-(2,5-diethoxyphenyl)-2-methylsulfanylacetamide
CID 33312505
4-(2,5-diethoxyanilino)-4-oxobutanoic acid
CID 1133656
1-butyl-3-[2-(3-ethoxyphenoxy)ethyl]urea
CID 112972940

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-(2,5-diethoxyphenyl)urea?
The IUPAC name of 1-butyl-3-(2,5-diethoxyphenyl)urea (CID 115569945) is 1-butyl-3-(2,5-diethoxyphenyl)urea.
What is the SMILES notation for 1-butyl-3-(2,5-diethoxyphenyl)urea?
The canonical SMILES for 1-butyl-3-(2,5-diethoxyphenyl)urea is CCCCNC(=O)Nc1cc(OCC)ccc1OCC.
What is the InChIKey of 1-butyl-3-(2,5-diethoxyphenyl)urea?
The InChIKey is RHTGVXPOCLZXNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-4-7-10-16-15(18)17-13-11-12(19-5-2)8-9-14(13)20-6-3/h8-9,11H,4-7,10H2,1-3H3,(H2,16,17,18).
What are the key properties of 1-butyl-3-(2,5-diethoxyphenyl)urea?
1-butyl-3-(2,5-diethoxyphenyl)urea has a molecular weight of 280.37 g/mol, XLogP of 3.41, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-(2,5-diethoxyphenyl)urea is sourced from PubChem (CID 115569945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).