[5-methyl-1-(2-phenylpropan-2-yl)cyclohexa-2,4-dien-1-yl]urea

C17H22N2O — CID 139710200

IUPAC[5-methyl-1-(2-phenylpropan-2-yl)cyclohexa-2,4-dien-1-yl]urea
SMILESCC1=CC=CC(NC(N)=O)(C(C)(C)c2ccccc2)C1
InChIInChI=1S/C17H22N2O/c1-13-8-7-11-17(12-13,19-15(18)20)16(2,3)14-9-5-4-6-10-14/h4-11H,12H2,1-3H3,(H3,18,19,20)
InChIKeyWLKOPSHTYXJZML-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.28
Rot. Bonds3

About [5-methyl-1-(2-phenylpropan-2-yl)cyclohexa-2,4-dien-1-yl]urea

[5-methyl-1-(2-phenylpropan-2-yl)cyclohexa-2,4-dien-1-yl]urea (PubChem CID 139710200) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is [5-methyl-1-(2-phenylpropan-2-yl)cyclohexa-2,4-dien-1-yl]urea.

Molecular Properties

Compound Name[5-methyl-1-(2-phenylpropan-2-yl)cyclohexa-2,4-dien-1-yl]urea
PubChem CID139710200
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name[5-methyl-1-(2-phenylpropan-2-yl)cyclohexa-2,4-dien-1-yl]urea
SMILESCC1=CC=CC(NC(N)=O)(C(C)(C)c2ccccc2)C1
InChIInChI=1S/C17H22N2O/c1-13-8-7-11-17(12-13,19-15(18)20)16(2,3)14-9-5-4-6-10-14/h4-11H,12H2,1-3H3,(H3,18,19,20)
InChIKeyWLKOPSHTYXJZML-UHFFFAOYSA-N
XLogP3.28
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

(1,5-dimethylcyclohexa-2,4-dien-1-yl) benzenecarboperoxoate
CID 141036052
methyl (2R)-2-amino-2-phenylpropanoate;hydrochloride
CID 141027321
(2S)-2-(carbamoylamino)-2-phenylpropanoic acid
CID 94456492
N'-(1,5-dimethylcyclohexa-2,4-dien-1-yl)hexanediamide
CID 141008417
N-methyl-1-(2-phenylpropan-2-yl)cyclopropan-1-amine
CID 83684635
3-[[1-(2-phenylpropan-2-yl)cyclopropyl]carbamoylamino]propanoic acid
CID 122018781
5-bromo-2-methyl-6-oxo-N-[1-(2-phenylpropan-2-yl)cyclopropyl]-1H-pyridine-3-carboxamide
CID 138007734
(2R)-2-amino-2-phenylpropanoyl chloride
CID 141365713
2-phenylpropan-2-ylcarbamic acid
CID 23445609
(1-hydroxy-2-phenylpropan-2-yl)urea
CID 105059189
1,1-diphenylethyl carbamate
CID 20976713
2-[1-(2-phenylpropan-2-yl)cyclohexyl]propan-2-ylbenzene
CID 175137284

Frequently Asked Questions

What is the IUPAC name of [5-methyl-1-(2-phenylpropan-2-yl)cyclohexa-2,4-dien-1-yl]urea?
The IUPAC name of [5-methyl-1-(2-phenylpropan-2-yl)cyclohexa-2,4-dien-1-yl]urea (CID 139710200) is [5-methyl-1-(2-phenylpropan-2-yl)cyclohexa-2,4-dien-1-yl]urea.
What is the SMILES notation for [5-methyl-1-(2-phenylpropan-2-yl)cyclohexa-2,4-dien-1-yl]urea?
The canonical SMILES for [5-methyl-1-(2-phenylpropan-2-yl)cyclohexa-2,4-dien-1-yl]urea is CC1=CC=CC(NC(N)=O)(C(C)(C)c2ccccc2)C1.
What is the InChIKey of [5-methyl-1-(2-phenylpropan-2-yl)cyclohexa-2,4-dien-1-yl]urea?
The InChIKey is WLKOPSHTYXJZML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-13-8-7-11-17(12-13,19-15(18)20)16(2,3)14-9-5-4-6-10-14/h4-11H,12H2,1-3H3,(H3,18,19,20).
What are the key properties of [5-methyl-1-(2-phenylpropan-2-yl)cyclohexa-2,4-dien-1-yl]urea?
[5-methyl-1-(2-phenylpropan-2-yl)cyclohexa-2,4-dien-1-yl]urea has a molecular weight of 270.38 g/mol, XLogP of 3.28, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-1-(2-phenylpropan-2-yl)cyclohexa-2,4-dien-1-yl]urea is sourced from PubChem (CID 139710200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).