1-[2-(3-tert-butylphenoxy)ethyl]-3-(4-propan-2-yloxyphenyl)urea

C22H30N2O3 — CID 112972774

IUPAC1-[2-(3-tert-butylphenoxy)ethyl]-3-(4-propan-2-yloxyphenyl)urea
SMILESCC(C)Oc1ccc(NC(=O)NCCOc2cccc(C(C)(C)C)c2)cc1
InChIInChI=1S/C22H30N2O3/c1-16(2)27-19-11-9-18(10-12-19)24-21(25)23-13-14-26-20-8-6-7-17(15-20)22(3,4)5/h6-12,15-16H,13-14H2,1-5H3,(H2,23,24,25)
InChIKeyQTDDVTZPICBNQF-UHFFFAOYSA-N
MW370.49 g/mol
LogP4.97
Rot. Bonds7

About 1-[2-(3-tert-butylphenoxy)ethyl]-3-(4-propan-2-yloxyphenyl)urea

1-[2-(3-tert-butylphenoxy)ethyl]-3-(4-propan-2-yloxyphenyl)urea (PubChem CID 112972774) has the molecular formula C22H30N2O3 and a molecular weight of 370.49 g/mol. Its IUPAC name is 1-[2-(3-tert-butylphenoxy)ethyl]-3-(4-propan-2-yloxyphenyl)urea.

Molecular Properties

Compound Name1-[2-(3-tert-butylphenoxy)ethyl]-3-(4-propan-2-yloxyphenyl)urea
PubChem CID112972774
Molecular FormulaC22H30N2O3
Molecular Weight370.49 g/mol
Exact Mass370.23
IUPAC Name1-[2-(3-tert-butylphenoxy)ethyl]-3-(4-propan-2-yloxyphenyl)urea
SMILESCC(C)Oc1ccc(NC(=O)NCCOc2cccc(C(C)(C)C)c2)cc1
InChIInChI=1S/C22H30N2O3/c1-16(2)27-19-11-9-18(10-12-19)24-21(25)23-13-14-26-20-8-6-7-17(15-20)22(3,4)5/h6-12,15-16H,13-14H2,1-5H3,(H2,23,24,25)
InChIKeyQTDDVTZPICBNQF-UHFFFAOYSA-N
XLogP4.97
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(3-tert-butylphenoxy)ethyl]-3-(4-ethylphenyl)urea
CID 112972756
1-[2-(3-tert-butylphenoxy)ethyl]-3-(3,4-dimethoxyphenyl)urea
CID 112972777
1-[2-(3-tert-butylphenoxy)ethyl]-3-(1-hydroxypropan-2-yl)urea
CID 111174535
N-[2-(3-tert-butylphenoxy)ethyl]-4-propan-2-yloxybenzenesulfonamide
CID 113100521
1-[2-(3-tert-butylphenoxy)ethyl]-3-(2-chlorophenyl)urea
CID 112972760
1-[2-(3-tert-butylphenoxy)ethyl]-3-(2,5-dimethoxyphenyl)urea
CID 112972775
1-(2-methyl-2-phenylpropyl)-3-(4-propan-2-yloxyphenyl)urea
CID 113213293
2-[2-[(4-propan-2-yloxyphenyl)carbamoylamino]ethoxy]acetic acid
CID 79463310
1-[2-(3-tert-butylphenoxy)ethyl]-3-(2,4-difluorophenyl)urea
CID 112972799
tert-butyl N-[2-(3-tert-butylphenoxy)ethyl]carbamate
CID 113100474
1-(4-tert-butylphenyl)-3-[2-(4-ethylphenoxy)ethyl]urea
CID 112972107
1-[2-(4-tert-butylphenoxy)ethyl]-3-(4-cyanophenyl)urea
CID 112972931

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-tert-butylphenoxy)ethyl]-3-(4-propan-2-yloxyphenyl)urea?
The IUPAC name of 1-[2-(3-tert-butylphenoxy)ethyl]-3-(4-propan-2-yloxyphenyl)urea (CID 112972774) is 1-[2-(3-tert-butylphenoxy)ethyl]-3-(4-propan-2-yloxyphenyl)urea.
What is the SMILES notation for 1-[2-(3-tert-butylphenoxy)ethyl]-3-(4-propan-2-yloxyphenyl)urea?
The canonical SMILES for 1-[2-(3-tert-butylphenoxy)ethyl]-3-(4-propan-2-yloxyphenyl)urea is CC(C)Oc1ccc(NC(=O)NCCOc2cccc(C(C)(C)C)c2)cc1.
What is the InChIKey of 1-[2-(3-tert-butylphenoxy)ethyl]-3-(4-propan-2-yloxyphenyl)urea?
The InChIKey is QTDDVTZPICBNQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O3/c1-16(2)27-19-11-9-18(10-12-19)24-21(25)23-13-14-26-20-8-6-7-17(15-20)22(3,4)5/h6-12,15-16H,13-14H2,1-5H3,(H2,23,24,25).
What are the key properties of 1-[2-(3-tert-butylphenoxy)ethyl]-3-(4-propan-2-yloxyphenyl)urea?
1-[2-(3-tert-butylphenoxy)ethyl]-3-(4-propan-2-yloxyphenyl)urea has a molecular weight of 370.49 g/mol, XLogP of 4.97, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-tert-butylphenoxy)ethyl]-3-(4-propan-2-yloxyphenyl)urea is sourced from PubChem (CID 112972774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).