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

C16H26N2O — CID 113214197

IUPAC1,1-diethyl-3-[2-methyl-2-(4-methylphenyl)propyl]urea
SMILESCCN(CC)C(=O)NCC(C)(C)c1ccc(C)cc1
InChIInChI=1S/C16H26N2O/c1-6-18(7-2)15(19)17-12-16(4,5)14-10-8-13(3)9-11-14/h8-11H,6-7,12H2,1-5H3,(H,17,19)
InChIKeyWCFSWZNDGYMSCU-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.32
Rot. Bonds5

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

1,1-diethyl-3-[2-methyl-2-(4-methylphenyl)propyl]urea (PubChem CID 113214197) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1,1-diethyl-3-[2-methyl-2-(4-methylphenyl)propyl]urea.

Molecular Properties

Compound Name1,1-diethyl-3-[2-methyl-2-(4-methylphenyl)propyl]urea
PubChem CID113214197
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1,1-diethyl-3-[2-methyl-2-(4-methylphenyl)propyl]urea
SMILESCCN(CC)C(=O)NCC(C)(C)c1ccc(C)cc1
InChIInChI=1S/C16H26N2O/c1-6-18(7-2)15(19)17-12-16(4,5)14-10-8-13(3)9-11-14/h8-11H,6-7,12H2,1-5H3,(H,17,19)
InChIKeyWCFSWZNDGYMSCU-UHFFFAOYSA-N
XLogP3.32
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[2-(4-chlorophenyl)-2-methylpropyl]-1,1-diethylurea
CID 60547202
1-(2-hydroxyethyl)-3-[2-methyl-2-(4-methylphenyl)propyl]-1-prop-2-enylurea
CID 111424304
[2-methyl-2-(4-methylphenyl)propyl]carbamoylazanide;ruthenium(1+)
CID 142973882
2-(methylamino)-N-[2-methyl-2-(4-methylphenyl)propyl]acetamide
CID 115152154
3-(2-methyl-2-phenylpropyl)-1,1-dipropylurea
CID 113213255
N-[2-(diethylcarbamoylamino)ethyl]-4-methylbenzamide
CID 108570702
N-[2-methyl-2-(4-methylphenyl)propyl]azetidine-3-carboxamide
CID 115159125
1-[2-methyl-2-(4-methylphenyl)propyl]-3-(2-methylpropyl)urea
CID 113214142
3-[2-(dimethylamino)-2-methylpropyl]-1-ethyl-1-[2-hydroxy-2-(4-methylphenyl)ethyl]urea
CID 111722248
1,1-dimethyl-3-(2-methyl-2-phenylpropyl)urea
CID 110459934
4-amino-N-[2-methyl-2-(4-methylphenyl)propyl]butanamide;hydrochloride
CID 119318689
3-[2-(3-chlorophenyl)-2-methylpropyl]-1-ethyl-1-(2-hydroxyethyl)urea
CID 110910334

Frequently Asked Questions

What is the IUPAC name of 1,1-diethyl-3-[2-methyl-2-(4-methylphenyl)propyl]urea?
The IUPAC name of 1,1-diethyl-3-[2-methyl-2-(4-methylphenyl)propyl]urea (CID 113214197) is 1,1-diethyl-3-[2-methyl-2-(4-methylphenyl)propyl]urea.
What is the SMILES notation for 1,1-diethyl-3-[2-methyl-2-(4-methylphenyl)propyl]urea?
The canonical SMILES for 1,1-diethyl-3-[2-methyl-2-(4-methylphenyl)propyl]urea is CCN(CC)C(=O)NCC(C)(C)c1ccc(C)cc1.
What is the InChIKey of 1,1-diethyl-3-[2-methyl-2-(4-methylphenyl)propyl]urea?
The InChIKey is WCFSWZNDGYMSCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-6-18(7-2)15(19)17-12-16(4,5)14-10-8-13(3)9-11-14/h8-11H,6-7,12H2,1-5H3,(H,17,19).
What are the key properties of 1,1-diethyl-3-[2-methyl-2-(4-methylphenyl)propyl]urea?
1,1-diethyl-3-[2-methyl-2-(4-methylphenyl)propyl]urea has a molecular weight of 262.40 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethyl-3-[2-methyl-2-(4-methylphenyl)propyl]urea is sourced from PubChem (CID 113214197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).