1-pentyl-3-(3,4,5-trimethoxyphenyl)urea

C15H24N2O4 — CID 51290149

IUPAC1-pentyl-3-(3,4,5-trimethoxyphenyl)urea
SMILESCCCCCNC(=O)Nc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C15H24N2O4/c1-5-6-7-8-16-15(18)17-11-9-12(19-2)14(21-4)13(10-11)20-3/h9-10H,5-8H2,1-4H3,(H2,16,17,18)
InChIKeySOSZUMQTUDDSDJ-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.02
Rot. Bonds8

About 1-pentyl-3-(3,4,5-trimethoxyphenyl)urea

1-pentyl-3-(3,4,5-trimethoxyphenyl)urea (PubChem CID 51290149) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is 1-pentyl-3-(3,4,5-trimethoxyphenyl)urea.

Molecular Properties

Compound Name1-pentyl-3-(3,4,5-trimethoxyphenyl)urea
PubChem CID51290149
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name1-pentyl-3-(3,4,5-trimethoxyphenyl)urea
SMILESCCCCCNC(=O)Nc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C15H24N2O4/c1-5-6-7-8-16-15(18)17-11-9-12(19-2)14(21-4)13(10-11)20-3/h9-10H,5-8H2,1-4H3,(H2,16,17,18)
InChIKeySOSZUMQTUDDSDJ-UHFFFAOYSA-N
XLogP3.02
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.02
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-butyl-3-(3,4,5-trimethoxyphenyl)urea
CID 47103391
N-pentyl-2-(3,4,5-trimethoxyanilino)acetamide
CID 109006089
1-(3-methylbutyl)-3-(3,4,5-trimethoxyphenyl)urea
CID 51712129
N-decyl-3,4,5-trimethoxybenzamide
CID 5067444
3-(butylamino)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 109012524
N-butyl-3-(3,4,5-trimethoxyanilino)propanamide
CID 109012336
1-butyl-3-(3,5-dimethoxyphenyl)urea
CID 47103671
1-(4-amino-3-methoxyphenyl)-3-butylurea
CID 61241787
1-[2-(4-methoxyphenoxy)ethyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 108866734
1-dodecyl-3-(4-methoxyphenyl)urea
CID 172727415
N-propyl-N'-(3,4,5-trimethoxyphenyl)propanediamide
CID 108940751
N-hexyl-3,4,5-trimethoxyaniline
CID 28876878

Frequently Asked Questions

What is the IUPAC name of 1-pentyl-3-(3,4,5-trimethoxyphenyl)urea?
The IUPAC name of 1-pentyl-3-(3,4,5-trimethoxyphenyl)urea (CID 51290149) is 1-pentyl-3-(3,4,5-trimethoxyphenyl)urea.
What is the SMILES notation for 1-pentyl-3-(3,4,5-trimethoxyphenyl)urea?
The canonical SMILES for 1-pentyl-3-(3,4,5-trimethoxyphenyl)urea is CCCCCNC(=O)Nc1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of 1-pentyl-3-(3,4,5-trimethoxyphenyl)urea?
The InChIKey is SOSZUMQTUDDSDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-5-6-7-8-16-15(18)17-11-9-12(19-2)14(21-4)13(10-11)20-3/h9-10H,5-8H2,1-4H3,(H2,16,17,18).
What are the key properties of 1-pentyl-3-(3,4,5-trimethoxyphenyl)urea?
1-pentyl-3-(3,4,5-trimethoxyphenyl)urea has a molecular weight of 296.37 g/mol, XLogP of 3.02, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentyl-3-(3,4,5-trimethoxyphenyl)urea is sourced from PubChem (CID 51290149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).