[2-methyl-2-(4-propan-2-ylphenyl)propyl]urea

C14H22N2O — CID 115168740

IUPAC[2-methyl-2-(4-propan-2-ylphenyl)propyl]urea
SMILESCC(C)c1ccc(C(C)(C)CNC(N)=O)cc1
InChIInChI=1S/C14H22N2O/c1-10(2)11-5-7-12(8-6-11)14(3,4)9-16-13(15)17/h5-8,10H,9H2,1-4H3,(H3,15,16,17)
InChIKeyRYEFKBYWSRWKNM-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.76
Rot. Bonds4

About [2-methyl-2-(4-propan-2-ylphenyl)propyl]urea

[2-methyl-2-(4-propan-2-ylphenyl)propyl]urea (PubChem CID 115168740) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is [2-methyl-2-(4-propan-2-ylphenyl)propyl]urea.

Molecular Properties

Compound Name[2-methyl-2-(4-propan-2-ylphenyl)propyl]urea
PubChem CID115168740
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name[2-methyl-2-(4-propan-2-ylphenyl)propyl]urea
SMILESCC(C)c1ccc(C(C)(C)CNC(N)=O)cc1
InChIInChI=1S/C14H22N2O/c1-10(2)11-5-7-12(8-6-11)14(3,4)9-16-13(15)17/h5-8,10H,9H2,1-4H3,(H3,15,16,17)
InChIKeyRYEFKBYWSRWKNM-UHFFFAOYSA-N
XLogP2.76
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

[2-methyl-2-(4-propan-2-ylphenyl)propyl]carbamic acid
CID 115171362
N-[2-methyl-2-(4-propan-2-ylphenyl)propyl]carbamoyl bromide
CID 115194195
1-(2-methyl-2-phenylpropyl)-3-(4-propan-2-ylphenyl)urea
CID 113213273
N-[2-(4-butan-2-ylphenyl)-2-methylpropyl]-2-oxoacetamide
CID 115166817
N-(2-amino-2-methylpropyl)-4-propan-2-ylbenzamide;hydrochloride
CID 119630213
3-[2,4-dimethyl-4-(4-propan-2-ylphenyl)pentan-2-yl]benzamide
CID 163393859
(2R)-2-amino-N-[2-(4-chlorophenyl)-2-methylpropyl]propanamide;hydrochloride
CID 119297367
N-(3-amino-2,2-dimethylpropyl)-4-propan-2-ylbenzamide
CID 115365755
(2-methyl-2-pyridin-3-ylpropyl)urea
CID 115168843
3-amino-2-methyl-N-(2-methyl-2-phenylpropyl)-3-phenylpropanamide
CID 119724309
1-[[[2-methyl-2-(4-propan-2-ylphenyl)propyl]amino]methyl]cyclopropan-1-amine
CID 115257113
1-[2-(4-chlorophenyl)-2-methylpropyl]-3-propan-2-ylurea
CID 47307554

Frequently Asked Questions

What is the IUPAC name of [2-methyl-2-(4-propan-2-ylphenyl)propyl]urea?
The IUPAC name of [2-methyl-2-(4-propan-2-ylphenyl)propyl]urea (CID 115168740) is [2-methyl-2-(4-propan-2-ylphenyl)propyl]urea.
What is the SMILES notation for [2-methyl-2-(4-propan-2-ylphenyl)propyl]urea?
The canonical SMILES for [2-methyl-2-(4-propan-2-ylphenyl)propyl]urea is CC(C)c1ccc(C(C)(C)CNC(N)=O)cc1.
What is the InChIKey of [2-methyl-2-(4-propan-2-ylphenyl)propyl]urea?
The InChIKey is RYEFKBYWSRWKNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-10(2)11-5-7-12(8-6-11)14(3,4)9-16-13(15)17/h5-8,10H,9H2,1-4H3,(H3,15,16,17).
What are the key properties of [2-methyl-2-(4-propan-2-ylphenyl)propyl]urea?
[2-methyl-2-(4-propan-2-ylphenyl)propyl]urea has a molecular weight of 234.34 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-2-(4-propan-2-ylphenyl)propyl]urea is sourced from PubChem (CID 115168740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).