1-(2-tert-butylphenyl)-3-[4-(4-hydroxyphenyl)butan-2-yl]urea

C21H28N2O2 — CID 168974121

IUPAC1-(2-tert-butylphenyl)-3-[4-(4-hydroxyphenyl)butan-2-yl]urea
SMILESCC(CCc1ccc(O)cc1)NC(=O)Nc1ccccc1C(C)(C)C
InChIInChI=1S/C21H28N2O2/c1-15(9-10-16-11-13-17(24)14-12-16)22-20(25)23-19-8-6-5-7-18(19)21(2,3)4/h5-8,11-15,24H,9-10H2,1-4H3,(H2,22,23,25)
InChIKeyOCGJETMPFFKHSJ-UHFFFAOYSA-N
MW340.47 g/mol
LogP4.83
Rot. Bonds5

About 1-(2-tert-butylphenyl)-3-[4-(4-hydroxyphenyl)butan-2-yl]urea

1-(2-tert-butylphenyl)-3-[4-(4-hydroxyphenyl)butan-2-yl]urea (PubChem CID 168974121) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 1-(2-tert-butylphenyl)-3-[4-(4-hydroxyphenyl)butan-2-yl]urea.

Molecular Properties

Compound Name1-(2-tert-butylphenyl)-3-[4-(4-hydroxyphenyl)butan-2-yl]urea
PubChem CID168974121
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC Name1-(2-tert-butylphenyl)-3-[4-(4-hydroxyphenyl)butan-2-yl]urea
SMILESCC(CCc1ccc(O)cc1)NC(=O)Nc1ccccc1C(C)(C)C
InChIInChI=1S/C21H28N2O2/c1-15(9-10-16-11-13-17(24)14-12-16)22-20(25)23-19-8-6-5-7-18(19)21(2,3)4/h5-8,11-15,24H,9-10H2,1-4H3,(H2,22,23,25)
InChIKeyOCGJETMPFFKHSJ-UHFFFAOYSA-N
XLogP4.83
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 54.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(4-hydroxyphenyl)butan-2-yl]-3-(2-nitrophenyl)urea
CID 46513800
1-(2-hydroxy-2,3-dimethylbutyl)-3-[4-(4-hydroxyphenyl)butan-2-yl]urea
CID 111120894
1-(2-tert-butylphenyl)-3-(3-methylbutyl)urea
CID 47195294
1-(2-bromophenyl)-3-(4-phenylbutan-2-yl)urea
CID 17217829
N-[4-[4-(4-hydroxyphenyl)butan-2-ylcarbamoylamino]phenyl]-3-methylbutanamide
CID 55698400
N-[3-[[(2R)-4-(4-hydroxyphenyl)butan-2-yl]carbamoylamino]phenyl]thiophene-2-carboxamide
CID 51945750
1-[(2S)-1-hydroxypropan-2-yl]-3-[2-(trifluoromethyl)phenyl]urea
CID 79023676
1-[(4-fluorophenyl)methyl]-3-[(2S)-4-(4-hydroxyphenyl)butan-2-yl]urea
CID 38204563
3-[[(2S)-4-(4-hydroxyphenyl)butan-2-yl]carbamoylamino]-4-methylbenzamide
CID 168974018
2-amino-N-(2-tert-butylphenyl)-3-methylbutanamide
CID 43702617
N-(2-tert-butylphenyl)-N'-(1-hydroxypropan-2-yl)oxamide
CID 47228973
2,2-dimethyl-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 51374320

Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butylphenyl)-3-[4-(4-hydroxyphenyl)butan-2-yl]urea?
The IUPAC name of 1-(2-tert-butylphenyl)-3-[4-(4-hydroxyphenyl)butan-2-yl]urea (CID 168974121) is 1-(2-tert-butylphenyl)-3-[4-(4-hydroxyphenyl)butan-2-yl]urea.
What is the SMILES notation for 1-(2-tert-butylphenyl)-3-[4-(4-hydroxyphenyl)butan-2-yl]urea?
The canonical SMILES for 1-(2-tert-butylphenyl)-3-[4-(4-hydroxyphenyl)butan-2-yl]urea is CC(CCc1ccc(O)cc1)NC(=O)Nc1ccccc1C(C)(C)C.
What is the InChIKey of 1-(2-tert-butylphenyl)-3-[4-(4-hydroxyphenyl)butan-2-yl]urea?
The InChIKey is OCGJETMPFFKHSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-15(9-10-16-11-13-17(24)14-12-16)22-20(25)23-19-8-6-5-7-18(19)21(2,3)4/h5-8,11-15,24H,9-10H2,1-4H3,(H2,22,23,25).
What are the key properties of 1-(2-tert-butylphenyl)-3-[4-(4-hydroxyphenyl)butan-2-yl]urea?
1-(2-tert-butylphenyl)-3-[4-(4-hydroxyphenyl)butan-2-yl]urea has a molecular weight of 340.47 g/mol, XLogP of 4.83, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butylphenyl)-3-[4-(4-hydroxyphenyl)butan-2-yl]urea is sourced from PubChem (CID 168974121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).