1-[(4-tert-butylphenyl)methyl]-1,3-dimethylurea

C14H22N2O — CID 47127305

IUPAC1-[(4-tert-butylphenyl)methyl]-1,3-dimethylurea
SMILESCNC(=O)N(C)Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C14H22N2O/c1-14(2,3)12-8-6-11(7-9-12)10-16(5)13(17)15-4/h6-9H,10H2,1-5H3,(H,15,17)
InChIKeyZVYMWWMFGAVHPP-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.76
Rot. Bonds2

About 1-[(4-tert-butylphenyl)methyl]-1,3-dimethylurea

1-[(4-tert-butylphenyl)methyl]-1,3-dimethylurea (PubChem CID 47127305) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-[(4-tert-butylphenyl)methyl]-1,3-dimethylurea.

Molecular Properties

Compound Name1-[(4-tert-butylphenyl)methyl]-1,3-dimethylurea
PubChem CID47127305
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name1-[(4-tert-butylphenyl)methyl]-1,3-dimethylurea
SMILESCNC(=O)N(C)Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C14H22N2O/c1-14(2,3)12-8-6-11(7-9-12)10-16(5)13(17)15-4/h6-9H,10H2,1-5H3,(H,15,17)
InChIKeyZVYMWWMFGAVHPP-UHFFFAOYSA-N
XLogP2.76
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,3-dimethyl-1-[(4-propan-2-ylphenyl)methyl]urea
CID 47127099
1-[(4-methoxyphenyl)methyl]-1,3-dimethylurea
CID 115575178
N'-[(4-tert-butylphenyl)methyl]-N'-methyloxamide
CID 115191922
N-[(4-tert-butylphenyl)methyl]-2,2,2-trifluoro-N-methylacetamide
CID 62734869
1-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-1,3-dimethylurea
CID 115169248
N-[(4-tert-butylphenyl)methyl]-1-cyano-N-methylformamide
CID 115172283
3-amino-N-[(4-tert-butylphenyl)methyl]-N,3-dimethylbutanamide
CID 64685652
2-(4-tert-butylphenyl)-N-methylacetamide;molecular hydrogen
CID 176700295
1,3-dimethyl-1-(1H-pyrrol-3-ylmethyl)urea
CID 115169243
N-[(4-tert-butylphenyl)methyl]-N-methyl-3-(propan-2-ylamino)propanamide
CID 60936975
4-tert-butyl-N-[(4-chlorophenyl)methyl]-N-methylbenzamide
CID 99955818
1-[(4-tert-butylphenyl)methyl]-1-methyl-3-[(1S)-1-pyridin-2-ylethyl]urea
CID 33431689

Frequently Asked Questions

What is the IUPAC name of 1-[(4-tert-butylphenyl)methyl]-1,3-dimethylurea?
The IUPAC name of 1-[(4-tert-butylphenyl)methyl]-1,3-dimethylurea (CID 47127305) is 1-[(4-tert-butylphenyl)methyl]-1,3-dimethylurea.
What is the SMILES notation for 1-[(4-tert-butylphenyl)methyl]-1,3-dimethylurea?
The canonical SMILES for 1-[(4-tert-butylphenyl)methyl]-1,3-dimethylurea is CNC(=O)N(C)Cc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1-[(4-tert-butylphenyl)methyl]-1,3-dimethylurea?
The InChIKey is ZVYMWWMFGAVHPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-14(2,3)12-8-6-11(7-9-12)10-16(5)13(17)15-4/h6-9H,10H2,1-5H3,(H,15,17).
What are the key properties of 1-[(4-tert-butylphenyl)methyl]-1,3-dimethylurea?
1-[(4-tert-butylphenyl)methyl]-1,3-dimethylurea has a molecular weight of 234.34 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-tert-butylphenyl)methyl]-1,3-dimethylurea is sourced from PubChem (CID 47127305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).