[2,2-dimethyl-3-(4-methylphenyl)propyl]urea

C13H20N2O — CID 20825966

IUPAC[2,2-dimethyl-3-(4-methylphenyl)propyl]urea
SMILESCc1ccc(CC(C)(C)CNC(N)=O)cc1
InChIInChI=1S/C13H20N2O/c1-10-4-6-11(7-5-10)8-13(2,3)9-15-12(14)16/h4-7H,8-9H2,1-3H3,(H3,14,15,16)
InChIKeyFVWSFSXZAFULDY-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.23
Rot. Bonds4

About [2,2-dimethyl-3-(4-methylphenyl)propyl]urea

[2,2-dimethyl-3-(4-methylphenyl)propyl]urea (PubChem CID 20825966) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is [2,2-dimethyl-3-(4-methylphenyl)propyl]urea.

Molecular Properties

Compound Name[2,2-dimethyl-3-(4-methylphenyl)propyl]urea
PubChem CID20825966
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name[2,2-dimethyl-3-(4-methylphenyl)propyl]urea
SMILESCc1ccc(CC(C)(C)CNC(N)=O)cc1
InChIInChI=1S/C13H20N2O/c1-10-4-6-11(7-5-10)8-13(2,3)9-15-12(14)16/h4-7H,8-9H2,1-3H3,(H3,14,15,16)
InChIKeyFVWSFSXZAFULDY-UHFFFAOYSA-N
XLogP2.23
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

[3-(4-iodophenyl)-2,2-dimethylpropyl]carbamic acid
CID 69036950
N-ethyl-2,2-dimethyl-3-(4-methylphenyl)propan-1-amine
CID 62726135
2,2-dimethyl-3-(4-methylphenyl)-N-propan-2-ylpropan-1-amine
CID 62724741
4-[2,2-dimethyl-3-(4-methylphenyl)propyl]aniline
CID 170390648
(2S)-2-cyano-2-methyl-3-(4-methylphenyl)propanamide
CID 135070545
2-amino-N-(2,2-dimethyl-3-phenylpropyl)acetamide
CID 119329644
1-amino-N-(2,2-dimethyl-3-phenylpropyl)cyclopentane-1-carboxamide
CID 119329656
3,3-dimethyl-4-(4-methylphenyl)butan-2-one
CID 15767343
1-(4-hydroxy-2,2-dimethylbutyl)-3-[2-(4-methylphenyl)ethyl]urea
CID 111506397
3-amino-N-(2,2-dimethyl-3-phenylpropyl)benzamide
CID 119794357
N-(4-bromo-2,2-dimethylbutyl)-3-(4-methylphenyl)propanamide
CID 114149427
N-(3-chloro-2,2-dimethylpropyl)-3-(4-methylphenyl)propanamide
CID 115364619

Frequently Asked Questions

What is the IUPAC name of [2,2-dimethyl-3-(4-methylphenyl)propyl]urea?
The IUPAC name of [2,2-dimethyl-3-(4-methylphenyl)propyl]urea (CID 20825966) is [2,2-dimethyl-3-(4-methylphenyl)propyl]urea.
What is the SMILES notation for [2,2-dimethyl-3-(4-methylphenyl)propyl]urea?
The canonical SMILES for [2,2-dimethyl-3-(4-methylphenyl)propyl]urea is Cc1ccc(CC(C)(C)CNC(N)=O)cc1.
What is the InChIKey of [2,2-dimethyl-3-(4-methylphenyl)propyl]urea?
The InChIKey is FVWSFSXZAFULDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-10-4-6-11(7-5-10)8-13(2,3)9-15-12(14)16/h4-7H,8-9H2,1-3H3,(H3,14,15,16).
What are the key properties of [2,2-dimethyl-3-(4-methylphenyl)propyl]urea?
[2,2-dimethyl-3-(4-methylphenyl)propyl]urea has a molecular weight of 220.32 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2-dimethyl-3-(4-methylphenyl)propyl]urea is sourced from PubChem (CID 20825966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).