1-[2-methyl-2-(4-methylphenyl)propyl]-3-(2-methylpropyl)urea

C16H26N2O — CID 113214142

IUPAC1-[2-methyl-2-(4-methylphenyl)propyl]-3-(2-methylpropyl)urea
SMILESCc1ccc(C(C)(C)CNC(=O)NCC(C)C)cc1
InChIInChI=1S/C16H26N2O/c1-12(2)10-17-15(19)18-11-16(4,5)14-8-6-13(3)7-9-14/h6-9,12H,10-11H2,1-5H3,(H2,17,18,19)
InChIKeyCENAEGOXFHLCSY-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.23
Rot. Bonds5

About 1-[2-methyl-2-(4-methylphenyl)propyl]-3-(2-methylpropyl)urea

1-[2-methyl-2-(4-methylphenyl)propyl]-3-(2-methylpropyl)urea (PubChem CID 113214142) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-[2-methyl-2-(4-methylphenyl)propyl]-3-(2-methylpropyl)urea.

Molecular Properties

Compound Name1-[2-methyl-2-(4-methylphenyl)propyl]-3-(2-methylpropyl)urea
PubChem CID113214142
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-[2-methyl-2-(4-methylphenyl)propyl]-3-(2-methylpropyl)urea
SMILESCc1ccc(C(C)(C)CNC(=O)NCC(C)C)cc1
InChIInChI=1S/C16H26N2O/c1-12(2)10-17-15(19)18-11-16(4,5)14-8-6-13(3)7-9-14/h6-9,12H,10-11H2,1-5H3,(H2,17,18,19)
InChIKeyCENAEGOXFHLCSY-UHFFFAOYSA-N
XLogP3.23
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

[2-methyl-2-(4-methylphenyl)propyl]carbamoylazanide;ruthenium(1+)
CID 142973882
2-(methylamino)-N-[2-methyl-2-(4-methylphenyl)propyl]acetamide
CID 115152154
1,1-diethyl-3-[2-methyl-2-(4-methylphenyl)propyl]urea
CID 113214197
[2-methyl-2-(4-propan-2-ylphenyl)propyl]carbamic acid
CID 115171362
1-[2-methyl-2-(4-methylphenyl)propyl]-3-(oxolan-2-ylmethyl)urea
CID 113214152
N-[2-methyl-2-(4-methylphenyl)propyl]azetidine-3-carboxamide
CID 115159125
1-[2-(4-chlorophenyl)-2-methylpropyl]-3-propan-2-ylurea
CID 47307554
N-[2-methyl-2-(4-propan-2-ylphenyl)propyl]carbamoyl bromide
CID 115194195
4-amino-N-[2-methyl-2-(4-methylphenyl)propyl]butanamide;hydrochloride
CID 119318689
2-methyl-4-[[2-methyl-2-(4-methylphenyl)propyl]amino]butanoic acid
CID 115220963
2-(methylamino)-3-[[2-methyl-2-(4-methylphenyl)propyl]amino]propanoic acid
CID 115256315
1-[2-(dimethylamino)-2-methylpropyl]-3-(2-methylpropyl)urea
CID 110622595

Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-2-(4-methylphenyl)propyl]-3-(2-methylpropyl)urea?
The IUPAC name of 1-[2-methyl-2-(4-methylphenyl)propyl]-3-(2-methylpropyl)urea (CID 113214142) is 1-[2-methyl-2-(4-methylphenyl)propyl]-3-(2-methylpropyl)urea.
What is the SMILES notation for 1-[2-methyl-2-(4-methylphenyl)propyl]-3-(2-methylpropyl)urea?
The canonical SMILES for 1-[2-methyl-2-(4-methylphenyl)propyl]-3-(2-methylpropyl)urea is Cc1ccc(C(C)(C)CNC(=O)NCC(C)C)cc1.
What is the InChIKey of 1-[2-methyl-2-(4-methylphenyl)propyl]-3-(2-methylpropyl)urea?
The InChIKey is CENAEGOXFHLCSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-12(2)10-17-15(19)18-11-16(4,5)14-8-6-13(3)7-9-14/h6-9,12H,10-11H2,1-5H3,(H2,17,18,19).
What are the key properties of 1-[2-methyl-2-(4-methylphenyl)propyl]-3-(2-methylpropyl)urea?
1-[2-methyl-2-(4-methylphenyl)propyl]-3-(2-methylpropyl)urea has a molecular weight of 262.40 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-2-(4-methylphenyl)propyl]-3-(2-methylpropyl)urea is sourced from PubChem (CID 113214142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).