1-(4-tert-butylphenyl)-3-[(4-hexa-2,4-dien-2-yloxyphenyl)methyl]urea

C24H30N2O2 — CID 123668583

IUPAC1-(4-tert-butylphenyl)-3-[(4-hexa-2,4-dien-2-yloxyphenyl)methyl]urea
SMILESCC=CC=C(C)Oc1ccc(CNC(=O)Nc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C24H30N2O2/c1-6-7-8-18(2)28-22-15-9-19(10-16-22)17-25-23(27)26-21-13-11-20(12-14-21)24(3,4)5/h6-16H,17H2,1-5H3,(H2,25,26,27)
InChIKeySENQHTSNSBWNQB-UHFFFAOYSA-N
MW378.52 g/mol
LogP6.16
Rot. Bonds6

About 1-(4-tert-butylphenyl)-3-[(4-hexa-2,4-dien-2-yloxyphenyl)methyl]urea

1-(4-tert-butylphenyl)-3-[(4-hexa-2,4-dien-2-yloxyphenyl)methyl]urea (PubChem CID 123668583) has the molecular formula C24H30N2O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-3-[(4-hexa-2,4-dien-2-yloxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-3-[(4-hexa-2,4-dien-2-yloxyphenyl)methyl]urea
PubChem CID123668583
Molecular FormulaC24H30N2O2
Molecular Weight378.52 g/mol
Exact Mass378.23
IUPAC Name1-(4-tert-butylphenyl)-3-[(4-hexa-2,4-dien-2-yloxyphenyl)methyl]urea
SMILESCC=CC=C(C)Oc1ccc(CNC(=O)Nc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C24H30N2O2/c1-6-7-8-18(2)28-22-15-9-19(10-16-22)17-25-23(27)26-21-13-11-20(12-14-21)24(3,4)5/h6-16H,17H2,1-5H3,(H2,25,26,27)
InChIKeySENQHTSNSBWNQB-UHFFFAOYSA-N
XLogP6.16
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.52
LogP ≤ 56.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

1-[(4-bromophenyl)methyl]-3-(4-tert-butylphenyl)urea
CID 108884917
1-(4-tert-butylphenyl)-3-[(4-chlorophenyl)methyl]urea
CID 108884751
1-(4-formylphenyl)-3-[(4-methoxyphenyl)methyl]urea
CID 156825217
1-(4-tert-butylphenyl)-3-[2-(4-ethylphenoxy)ethyl]urea
CID 112972107
(E)-N-[(4-tert-butylphenyl)methyl]but-2-enamide
CID 110470259
1-(4-acetylphenyl)-3-[(4-ethoxyphenyl)methyl]urea
CID 108884380
2-(4-tert-butylphenoxy)-N-[[4-(carbamoylamino)phenyl]methyl]acetamide
CID 55509327
ethyl 4-[[(4-ethoxycarbonyloxyphenyl)carbamoylamino]methyl]benzoate
CID 108865745
[4-[[4-[[4-(4-tert-butylphenoxy)butanoylamino]methyl]phenyl]carbamoyl]phenyl] ethyl carbonate
CID 108931244
1-(4-tert-butylphenyl)-3-(4-ethylphenyl)urea
CID 58441349
1-(4-tert-butylphenyl)-3-(chloromethyl)urea
CID 142021832
methyl 4-[[(4-methoxyphenyl)carbamoylamino]methyl]benzoate
CID 34667949

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-3-[(4-hexa-2,4-dien-2-yloxyphenyl)methyl]urea?
The IUPAC name of 1-(4-tert-butylphenyl)-3-[(4-hexa-2,4-dien-2-yloxyphenyl)methyl]urea (CID 123668583) is 1-(4-tert-butylphenyl)-3-[(4-hexa-2,4-dien-2-yloxyphenyl)methyl]urea.
What is the SMILES notation for 1-(4-tert-butylphenyl)-3-[(4-hexa-2,4-dien-2-yloxyphenyl)methyl]urea?
The canonical SMILES for 1-(4-tert-butylphenyl)-3-[(4-hexa-2,4-dien-2-yloxyphenyl)methyl]urea is CC=CC=C(C)Oc1ccc(CNC(=O)Nc2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-3-[(4-hexa-2,4-dien-2-yloxyphenyl)methyl]urea?
The InChIKey is SENQHTSNSBWNQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O2/c1-6-7-8-18(2)28-22-15-9-19(10-16-22)17-25-23(27)26-21-13-11-20(12-14-21)24(3,4)5/h6-16H,17H2,1-5H3,(H2,25,26,27).
What are the key properties of 1-(4-tert-butylphenyl)-3-[(4-hexa-2,4-dien-2-yloxyphenyl)methyl]urea?
1-(4-tert-butylphenyl)-3-[(4-hexa-2,4-dien-2-yloxyphenyl)methyl]urea has a molecular weight of 378.52 g/mol, XLogP of 6.16, 6 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-[(4-hexa-2,4-dien-2-yloxyphenyl)methyl]urea is sourced from PubChem (CID 123668583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).