1-(3-butoxypropyl)-3-(3,5-dimethylphenyl)urea

C16H26N2O2 — CID 127566183

IUPAC1-(3-butoxypropyl)-3-(3,5-dimethylphenyl)urea
SMILESCCCCOCCCNC(=O)Nc1cc(C)cc(C)c1
InChIInChI=1S/C16H26N2O2/c1-4-5-8-20-9-6-7-17-16(19)18-15-11-13(2)10-14(3)12-15/h10-12H,4-9H2,1-3H3,(H2,17,18,19)
InChIKeyQTPJJKVISQBHSX-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.63
Rot. Bonds8

About 1-(3-butoxypropyl)-3-(3,5-dimethylphenyl)urea

1-(3-butoxypropyl)-3-(3,5-dimethylphenyl)urea (PubChem CID 127566183) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-(3-butoxypropyl)-3-(3,5-dimethylphenyl)urea.

Molecular Properties

Compound Name1-(3-butoxypropyl)-3-(3,5-dimethylphenyl)urea
PubChem CID127566183
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name1-(3-butoxypropyl)-3-(3,5-dimethylphenyl)urea
SMILESCCCCOCCCNC(=O)Nc1cc(C)cc(C)c1
InChIInChI=1S/C16H26N2O2/c1-4-5-8-20-9-6-7-17-16(19)18-15-11-13(2)10-14(3)12-15/h10-12H,4-9H2,1-3H3,(H2,17,18,19)
InChIKeyQTPJJKVISQBHSX-UHFFFAOYSA-N
XLogP3.63
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.63
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

1-(2-butoxyethyl)-3-(3-methylphenyl)urea
CID 141077224
1-(3,5-dimethylphenyl)-3-(2-methoxyethyl)urea
CID 47194755
1-(3-butoxypropyl)-3-(2-chlorophenyl)urea
CID 78793865
1-(3-butoxypropyl)-3-(1,5-dimethylpyrazol-3-yl)urea
CID 108813274
1-(3-butoxypropyl)-3-[3-(2-phenylethynyl)phenyl]urea
CID 112825525
1-butyl-3-[2-(3,5-dimethylphenoxy)ethyl]urea
CID 112973945
N-(2-butoxyethyl)-3,5-dimethylaniline
CID 61483002
1-(5-bromofuran-2-yl)-3-(3-butoxypropyl)urea
CID 108872832
1-butyl-3-(5-methyl-3-pyridinyl)urea
CID 103739077
3,5-diamino-N-(3-butoxypropyl)benzamide
CID 115597711
1-cyclohexyl-3-[3-methyl-5-[6-[[3-methyl-5-(octadecylcarbamoylamino)phenyl]carbamoylamino]hexylcarbamoylamino]phenyl]urea
CID 3024817
1-butyl-3-(2,6-dibromo-4-methylphenyl)urea
CID 115569894

Frequently Asked Questions

What is the IUPAC name of 1-(3-butoxypropyl)-3-(3,5-dimethylphenyl)urea?
The IUPAC name of 1-(3-butoxypropyl)-3-(3,5-dimethylphenyl)urea (CID 127566183) is 1-(3-butoxypropyl)-3-(3,5-dimethylphenyl)urea.
What is the SMILES notation for 1-(3-butoxypropyl)-3-(3,5-dimethylphenyl)urea?
The canonical SMILES for 1-(3-butoxypropyl)-3-(3,5-dimethylphenyl)urea is CCCCOCCCNC(=O)Nc1cc(C)cc(C)c1.
What is the InChIKey of 1-(3-butoxypropyl)-3-(3,5-dimethylphenyl)urea?
The InChIKey is QTPJJKVISQBHSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-4-5-8-20-9-6-7-17-16(19)18-15-11-13(2)10-14(3)12-15/h10-12H,4-9H2,1-3H3,(H2,17,18,19).
What are the key properties of 1-(3-butoxypropyl)-3-(3,5-dimethylphenyl)urea?
1-(3-butoxypropyl)-3-(3,5-dimethylphenyl)urea has a molecular weight of 278.40 g/mol, XLogP of 3.63, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-butoxypropyl)-3-(3,5-dimethylphenyl)urea is sourced from PubChem (CID 127566183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).