1-[3-(4-tert-butylphenoxy)propyl]-3-ethylurea

C16H26N2O2 — CID 108882801

IUPAC1-[3-(4-tert-butylphenoxy)propyl]-3-ethylurea
SMILESCCNC(=O)NCCCOc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H26N2O2/c1-5-17-15(19)18-11-6-12-20-14-9-7-13(8-10-14)16(2,3)4/h7-10H,5-6,11-12H2,1-4H3,(H2,17,18,19)
InChIKeyVTZVLDRKZFROKK-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.07
Rot. Bonds6

About 1-[3-(4-tert-butylphenoxy)propyl]-3-ethylurea

1-[3-(4-tert-butylphenoxy)propyl]-3-ethylurea (PubChem CID 108882801) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-[3-(4-tert-butylphenoxy)propyl]-3-ethylurea.

Molecular Properties

Compound Name1-[3-(4-tert-butylphenoxy)propyl]-3-ethylurea
PubChem CID108882801
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name1-[3-(4-tert-butylphenoxy)propyl]-3-ethylurea
SMILESCCNC(=O)NCCCOc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H26N2O2/c1-5-17-15(19)18-11-6-12-20-14-9-7-13(8-10-14)16(2,3)4/h7-10H,5-6,11-12H2,1-4H3,(H2,17,18,19)
InChIKeyVTZVLDRKZFROKK-UHFFFAOYSA-N
XLogP3.07
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
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

1-butyl-3-[3-(4-tert-butylphenoxy)propyl]urea
CID 108882694
1-[3-(4-tert-butylphenoxy)propyl]-3-[2-(diethylamino)ethyl]urea
CID 108882809
1-[3-(4-tert-butylphenoxy)propyl]-3-[[4-(hydroxymethyl)phenyl]methyl]urea
CID 108882974
1-[3-(4-tert-butylphenoxy)propyl]-3-cyclopropylurea
CID 108882913
1-[(4-bromophenyl)methyl]-3-[3-(4-tert-butylphenoxy)propyl]urea
CID 108882982
1-ethyl-3-[2-(4-methylphenoxy)ethyl]urea
CID 47103272
3-(4-tert-butylphenoxy)-N-ethylpropanamide
CID 60630698
1-[3-(4-tert-butylphenoxy)propyl]-3-(3,5-dichlorophenyl)urea
CID 108882902
4-(4-tert-butylphenoxy)-N-pentylbutanamide
CID 19173675
1-(4-tert-butylphenyl)-3-[2-(4-ethylphenoxy)ethyl]urea
CID 112972107
1-[3-(4-tert-butylphenoxy)propyl]-3-naphthalen-2-ylurea
CID 108882865
1-[3-(4-tert-butylphenoxy)propyl]-3-(6-methyl-2-pyridinyl)urea
CID 108882838

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-tert-butylphenoxy)propyl]-3-ethylurea?
The IUPAC name of 1-[3-(4-tert-butylphenoxy)propyl]-3-ethylurea (CID 108882801) is 1-[3-(4-tert-butylphenoxy)propyl]-3-ethylurea.
What is the SMILES notation for 1-[3-(4-tert-butylphenoxy)propyl]-3-ethylurea?
The canonical SMILES for 1-[3-(4-tert-butylphenoxy)propyl]-3-ethylurea is CCNC(=O)NCCCOc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1-[3-(4-tert-butylphenoxy)propyl]-3-ethylurea?
The InChIKey is VTZVLDRKZFROKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-5-17-15(19)18-11-6-12-20-14-9-7-13(8-10-14)16(2,3)4/h7-10H,5-6,11-12H2,1-4H3,(H2,17,18,19).
What are the key properties of 1-[3-(4-tert-butylphenoxy)propyl]-3-ethylurea?
1-[3-(4-tert-butylphenoxy)propyl]-3-ethylurea has a molecular weight of 278.40 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-tert-butylphenoxy)propyl]-3-ethylurea is sourced from PubChem (CID 108882801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).