1,1-dimethyl-3-[4-(2-methylbutan-2-yl)phenyl]urea

C14H22N2O — CID 121366725

IUPAC1,1-dimethyl-3-[4-(2-methylbutan-2-yl)phenyl]urea
SMILESCCC(C)(C)c1ccc(NC(=O)N(C)C)cc1
InChIInChI=1S/C14H22N2O/c1-6-14(2,3)11-7-9-12(10-8-11)15-13(17)16(4)5/h7-10H,6H2,1-5H3,(H,15,17)
InChIKeyHMVNUWXLIHWDCZ-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.47
Rot. Bonds3

About 1,1-dimethyl-3-[4-(2-methylbutan-2-yl)phenyl]urea

1,1-dimethyl-3-[4-(2-methylbutan-2-yl)phenyl]urea (PubChem CID 121366725) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 1,1-dimethyl-3-[4-(2-methylbutan-2-yl)phenyl]urea.

Molecular Properties

Compound Name1,1-dimethyl-3-[4-(2-methylbutan-2-yl)phenyl]urea
PubChem CID121366725
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name1,1-dimethyl-3-[4-(2-methylbutan-2-yl)phenyl]urea
SMILESCCC(C)(C)c1ccc(NC(=O)N(C)C)cc1
InChIInChI=1S/C14H22N2O/c1-6-14(2,3)11-7-9-12(10-8-11)15-13(17)16(4)5/h7-10H,6H2,1-5H3,(H,15,17)
InChIKeyHMVNUWXLIHWDCZ-UHFFFAOYSA-N
XLogP3.47
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]urea
CID 129255825
2-[4-[[ethyl(methyl)carbamoyl]amino]phenyl]-2-methylpropanoic acid
CID 80554758
2-methyl-N-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]cyclopropane-1-carboxamide
CID 4868535
5-methyl-N-[4-(2-methylbutan-2-yl)phenyl]-1,2-oxazole-4-carboxamide
CID 19871639
N-(4-ethenylphenyl)-4-(2-methylbutan-2-yl)benzamide
CID 59270019
2-[4-[[2-hydroxypropyl(methyl)carbamoyl]amino]phenyl]-2-methylpropanoic acid
CID 80549715
2-[4-(dimethylcarbamoylamino)phenyl]acetamide
CID 47203177
2-[[4-(dimethylcarbamoylamino)benzoyl]amino]acetic acid
CID 61196082
4-(2-methylbutan-2-ylcarbamoyl)-6-[[4-(2-methylbutan-2-yl)phenyl]carbamoyl]benzene-1,3-dicarboxylic acid
CID 144585610
N-(4-fluorophenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide
CID 17093193
N-(4-bromophenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide
CID 17093191
5-bromo-N-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]furan-2-carboxamide
CID 2435744

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3-[4-(2-methylbutan-2-yl)phenyl]urea?
The IUPAC name of 1,1-dimethyl-3-[4-(2-methylbutan-2-yl)phenyl]urea (CID 121366725) is 1,1-dimethyl-3-[4-(2-methylbutan-2-yl)phenyl]urea.
What is the SMILES notation for 1,1-dimethyl-3-[4-(2-methylbutan-2-yl)phenyl]urea?
The canonical SMILES for 1,1-dimethyl-3-[4-(2-methylbutan-2-yl)phenyl]urea is CCC(C)(C)c1ccc(NC(=O)N(C)C)cc1.
What is the InChIKey of 1,1-dimethyl-3-[4-(2-methylbutan-2-yl)phenyl]urea?
The InChIKey is HMVNUWXLIHWDCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-6-14(2,3)11-7-9-12(10-8-11)15-13(17)16(4)5/h7-10H,6H2,1-5H3,(H,15,17).
What are the key properties of 1,1-dimethyl-3-[4-(2-methylbutan-2-yl)phenyl]urea?
1,1-dimethyl-3-[4-(2-methylbutan-2-yl)phenyl]urea has a molecular weight of 234.34 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-[4-(2-methylbutan-2-yl)phenyl]urea is sourced from PubChem (CID 121366725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).