1-hexyl-3-[(2-methoxyphenyl)methyl]urea

C15H24N2O2 — CID 30694177

IUPAC1-hexyl-3-[(2-methoxyphenyl)methyl]urea
SMILESCCCCCCNC(=O)NCc1ccccc1OC
InChIInChI=1S/C15H24N2O2/c1-3-4-5-8-11-16-15(18)17-12-13-9-6-7-10-14(13)19-2/h6-7,9-10H,3-5,8,11-12H2,1-2H3,(H2,16,17,18)
InChIKeyFJMGUIRNRMXFJZ-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.07
Rot. Bonds8

About 1-hexyl-3-[(2-methoxyphenyl)methyl]urea

1-hexyl-3-[(2-methoxyphenyl)methyl]urea (PubChem CID 30694177) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-hexyl-3-[(2-methoxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-hexyl-3-[(2-methoxyphenyl)methyl]urea
PubChem CID30694177
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name1-hexyl-3-[(2-methoxyphenyl)methyl]urea
SMILESCCCCCCNC(=O)NCc1ccccc1OC
InChIInChI=1S/C15H24N2O2/c1-3-4-5-8-11-16-15(18)17-12-13-9-6-7-10-14(13)19-2/h6-7,9-10H,3-5,8,11-12H2,1-2H3,(H2,16,17,18)
InChIKeyFJMGUIRNRMXFJZ-UHFFFAOYSA-N
XLogP3.07
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 94828368
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1-ethyl-3-[(2-methoxyphenyl)methyl]urea
CID 38151032
N-[(2-methoxyphenyl)methyl]hexan-1-amine
CID 4716798
1-[3-(2-chlorophenoxy)propyl]-3-[(2-methoxyphenyl)methyl]urea
CID 108883586
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CID 108525840
1-butyl-3-[(2-hydroxyphenyl)methyl]urea
CID 115598931
1-[2-(2-chlorophenyl)ethyl]-3-[(2-methoxyphenyl)methyl]urea
CID 108897450
1-butyl-3-[(2,4-dimethoxyphenyl)methyl]urea
CID 47277958
N-[4-[2-(2-methoxyphenyl)ethylcarbamoylamino]butyl]acetamide
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CID 139819873

Frequently Asked Questions

What is the IUPAC name of 1-hexyl-3-[(2-methoxyphenyl)methyl]urea?
The IUPAC name of 1-hexyl-3-[(2-methoxyphenyl)methyl]urea (CID 30694177) is 1-hexyl-3-[(2-methoxyphenyl)methyl]urea.
What is the SMILES notation for 1-hexyl-3-[(2-methoxyphenyl)methyl]urea?
The canonical SMILES for 1-hexyl-3-[(2-methoxyphenyl)methyl]urea is CCCCCCNC(=O)NCc1ccccc1OC.
What is the InChIKey of 1-hexyl-3-[(2-methoxyphenyl)methyl]urea?
The InChIKey is FJMGUIRNRMXFJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-3-4-5-8-11-16-15(18)17-12-13-9-6-7-10-14(13)19-2/h6-7,9-10H,3-5,8,11-12H2,1-2H3,(H2,16,17,18).
What are the key properties of 1-hexyl-3-[(2-methoxyphenyl)methyl]urea?
1-hexyl-3-[(2-methoxyphenyl)methyl]urea has a molecular weight of 264.37 g/mol, XLogP of 3.07, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexyl-3-[(2-methoxyphenyl)methyl]urea is sourced from PubChem (CID 30694177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).