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

C17H26N2O2 — CID 108882913

IUPAC1-[3-(4-tert-butylphenoxy)propyl]-3-cyclopropylurea
SMILESCC(C)(C)c1ccc(OCCCNC(=O)NC2CC2)cc1
InChIInChI=1S/C17H26N2O2/c1-17(2,3)13-5-9-15(10-6-13)21-12-4-11-18-16(20)19-14-7-8-14/h5-6,9-10,14H,4,7-8,11-12H2,1-3H3,(H2,18,19,20)
InChIKeyFTHXHVJAZKIFSW-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.21
Rot. Bonds6

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

1-[3-(4-tert-butylphenoxy)propyl]-3-cyclopropylurea (PubChem CID 108882913) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-[3-(4-tert-butylphenoxy)propyl]-3-cyclopropylurea.

Molecular Properties

Compound Name1-[3-(4-tert-butylphenoxy)propyl]-3-cyclopropylurea
PubChem CID108882913
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name1-[3-(4-tert-butylphenoxy)propyl]-3-cyclopropylurea
SMILESCC(C)(C)c1ccc(OCCCNC(=O)NC2CC2)cc1
InChIInChI=1S/C17H26N2O2/c1-17(2,3)13-5-9-15(10-6-13)21-12-4-11-18-16(20)19-14-7-8-14/h5-6,9-10,14H,4,7-8,11-12H2,1-3H3,(H2,18,19,20)
InChIKeyFTHXHVJAZKIFSW-UHFFFAOYSA-N
XLogP3.21
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.21
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

ethyl 4-[2-(4-tert-butylphenoxy)ethylcarbamoylamino]piperidine-1-carboxylate
CID 112972858
1-[3-(4-tert-butylphenoxy)propyl]-3-ethylurea
CID 108882801
1-butyl-3-[3-(4-tert-butylphenoxy)propyl]urea
CID 108882694
3-(4-tert-butylphenoxy)-N-cyclopropylpropanamide
CID 60631425
tert-butyl 4-[3-(4-methylphenoxy)propylcarbamoylamino]piperidine-1-carboxylate
CID 108881535
1-[3-(2-bromo-4-tert-butylphenoxy)propyl]-3-cycloheptylurea
CID 108882155
N-[3-(4-tert-butylphenoxy)propyl]cyclopentanamine;oxalic acid
CID 2948780
1-[3-(4-tert-butylphenoxy)propyl]-3-[2-(diethylamino)ethyl]urea
CID 108882809
1-[2-(4-bromophenoxy)ethyl]-3-cyclohexylurea
CID 47467269
N-[2-(4-tert-butylphenoxy)ethyl]cyclopentanecarboxamide
CID 94868061
N-[4-(4-tert-butylphenoxy)butyl]cyclopropanamine
CID 62454395
1-[3-(4-tert-butylphenoxy)propyl]-3-[[4-(hydroxymethyl)phenyl]methyl]urea
CID 108882974

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-tert-butylphenoxy)propyl]-3-cyclopropylurea?
The IUPAC name of 1-[3-(4-tert-butylphenoxy)propyl]-3-cyclopropylurea (CID 108882913) is 1-[3-(4-tert-butylphenoxy)propyl]-3-cyclopropylurea.
What is the SMILES notation for 1-[3-(4-tert-butylphenoxy)propyl]-3-cyclopropylurea?
The canonical SMILES for 1-[3-(4-tert-butylphenoxy)propyl]-3-cyclopropylurea is CC(C)(C)c1ccc(OCCCNC(=O)NC2CC2)cc1.
What is the InChIKey of 1-[3-(4-tert-butylphenoxy)propyl]-3-cyclopropylurea?
The InChIKey is FTHXHVJAZKIFSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-17(2,3)13-5-9-15(10-6-13)21-12-4-11-18-16(20)19-14-7-8-14/h5-6,9-10,14H,4,7-8,11-12H2,1-3H3,(H2,18,19,20).
What are the key properties of 1-[3-(4-tert-butylphenoxy)propyl]-3-cyclopropylurea?
1-[3-(4-tert-butylphenoxy)propyl]-3-cyclopropylurea has a molecular weight of 290.41 g/mol, XLogP of 3.21, 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-cyclopropylurea is sourced from PubChem (CID 108882913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).