1-(4-tert-butylphenyl)-3-[2-(furan-3-yl)ethyl]urea

C17H22N2O2 — CID 90558553

IUPAC1-(4-tert-butylphenyl)-3-[2-(furan-3-yl)ethyl]urea
SMILESCC(C)(C)c1ccc(NC(=O)NCCc2ccoc2)cc1
InChIInChI=1S/C17H22N2O2/c1-17(2,3)14-4-6-15(7-5-14)19-16(20)18-10-8-13-9-11-21-12-13/h4-7,9,11-12H,8,10H2,1-3H3,(H2,18,19,20)
InChIKeyOIJVCCBFUAWDLE-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.94
Rot. Bonds4

About 1-(4-tert-butylphenyl)-3-[2-(furan-3-yl)ethyl]urea

1-(4-tert-butylphenyl)-3-[2-(furan-3-yl)ethyl]urea (PubChem CID 90558553) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-3-[2-(furan-3-yl)ethyl]urea.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-3-[2-(furan-3-yl)ethyl]urea
PubChem CID90558553
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name1-(4-tert-butylphenyl)-3-[2-(furan-3-yl)ethyl]urea
SMILESCC(C)(C)c1ccc(NC(=O)NCCc2ccoc2)cc1
InChIInChI=1S/C17H22N2O2/c1-17(2,3)14-4-6-15(7-5-14)19-16(20)18-10-8-13-9-11-21-12-13/h4-7,9,11-12H,8,10H2,1-3H3,(H2,18,19,20)
InChIKeyOIJVCCBFUAWDLE-UHFFFAOYSA-N
XLogP3.94
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-tert-butylphenyl)-3-(2-pyrimidin-5-ylethyl)urea
CID 91813349
N-[2-(furan-3-yl)ethyl]-N'-[4-(trifluoromethyl)phenyl]oxamide
CID 90558521
1-(4-tert-butylphenyl)-3-(3-phenylpropyl)urea
CID 108884934
3-[(4-tert-butylphenyl)carbamoylamino]propanoic acid
CID 28510898
1-[2-(furan-3-yl)ethyl]-3-(2-methoxyethyl)urea
CID 71798548
1-(4-tert-butylphenyl)-3-(chloromethyl)urea
CID 142021832
N-[2-(furan-3-yl)ethyl]-2-methoxyacetamide
CID 90558235
N-[3-[(4-tert-butylphenyl)carbamoylamino]propyl]formamide
CID 108884840
4-[(4-tert-butylphenyl)carbamoylamino]-2-hydroxybutanoic acid
CID 107837896
1-[(2S)-1-(furan-3-yl)propan-2-yl]-3-[4-(trifluoromethyl)phenyl]urea
CID 99873238
1-[2-(furan-3-yl)ethyl]-3-[(4-methoxyphenyl)methyl]urea
CID 90558552
1-(4-tert-butylphenyl)-3-(4-ethylphenyl)urea
CID 58441349

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-3-[2-(furan-3-yl)ethyl]urea?
The IUPAC name of 1-(4-tert-butylphenyl)-3-[2-(furan-3-yl)ethyl]urea (CID 90558553) is 1-(4-tert-butylphenyl)-3-[2-(furan-3-yl)ethyl]urea.
What is the SMILES notation for 1-(4-tert-butylphenyl)-3-[2-(furan-3-yl)ethyl]urea?
The canonical SMILES for 1-(4-tert-butylphenyl)-3-[2-(furan-3-yl)ethyl]urea is CC(C)(C)c1ccc(NC(=O)NCCc2ccoc2)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-3-[2-(furan-3-yl)ethyl]urea?
The InChIKey is OIJVCCBFUAWDLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-17(2,3)14-4-6-15(7-5-14)19-16(20)18-10-8-13-9-11-21-12-13/h4-7,9,11-12H,8,10H2,1-3H3,(H2,18,19,20).
What are the key properties of 1-(4-tert-butylphenyl)-3-[2-(furan-3-yl)ethyl]urea?
1-(4-tert-butylphenyl)-3-[2-(furan-3-yl)ethyl]urea has a molecular weight of 286.38 g/mol, XLogP of 3.94, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-3-[2-(furan-3-yl)ethyl]urea is sourced from PubChem (CID 90558553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).