1-(2-methyl-6-propan-2-ylphenyl)-3-prop-1-en-2-ylurea

C14H20N2O — CID 108910145

IUPAC1-(2-methyl-6-propan-2-ylphenyl)-3-prop-1-en-2-ylurea
SMILESC=C(C)NC(=O)Nc1c(C)cccc1C(C)C
InChIInChI=1S/C14H20N2O/c1-9(2)12-8-6-7-11(5)13(12)16-14(17)15-10(3)4/h6-9H,3H2,1-2,4-5H3,(H2,15,16,17)
InChIKeyCTNIUPJKHMGQMI-UHFFFAOYSA-N
MW232.33 g/mol
LogP3.77
Rot. Bonds3

About 1-(2-methyl-6-propan-2-ylphenyl)-3-prop-1-en-2-ylurea

1-(2-methyl-6-propan-2-ylphenyl)-3-prop-1-en-2-ylurea (PubChem CID 108910145) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 1-(2-methyl-6-propan-2-ylphenyl)-3-prop-1-en-2-ylurea.

Molecular Properties

Compound Name1-(2-methyl-6-propan-2-ylphenyl)-3-prop-1-en-2-ylurea
PubChem CID108910145
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name1-(2-methyl-6-propan-2-ylphenyl)-3-prop-1-en-2-ylurea
SMILESC=C(C)NC(=O)Nc1c(C)cccc1C(C)C
InChIInChI=1S/C14H20N2O/c1-9(2)12-8-6-7-11(5)13(12)16-14(17)15-10(3)4/h6-9H,3H2,1-2,4-5H3,(H2,15,16,17)
InChIKeyCTNIUPJKHMGQMI-UHFFFAOYSA-N
XLogP3.77
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 729062
1-(2-ethyl-6-methylphenyl)-3-prop-1-en-2-ylurea
CID 108910219
1-[(2S)-3-methylbutan-2-yl]-3-(2-methyl-6-propan-2-ylphenyl)urea
CID 51944614
N-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]furan-2-carboxamide
CID 110866378
1-(2-methyl-6-propan-2-ylphenyl)-3-pentan-3-ylurea
CID 47195278
1-butan-2-yl-3-(2-methyl-6-propan-2-ylphenyl)urea
CID 45366518
1,3-bis[2,6-di(propan-2-yl)phenyl]urea
CID 12058189
2-chloro-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 3859248
3-[(2-methyl-6-propan-2-ylphenyl)carbamoylamino]propanoic acid
CID 28510886
2-methyl-3-[(2-methyl-6-propan-2-ylphenyl)carbamoylamino]propanoic acid
CID 62670099
2-cyclopropyl-2-[(2-methyl-6-propan-2-ylphenyl)carbamoylamino]acetic acid
CID 62711201
N-(2-methyl-6-propan-2-ylphenyl)-2-sulfanylacetamide
CID 715390

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-6-propan-2-ylphenyl)-3-prop-1-en-2-ylurea?
The IUPAC name of 1-(2-methyl-6-propan-2-ylphenyl)-3-prop-1-en-2-ylurea (CID 108910145) is 1-(2-methyl-6-propan-2-ylphenyl)-3-prop-1-en-2-ylurea.
What is the SMILES notation for 1-(2-methyl-6-propan-2-ylphenyl)-3-prop-1-en-2-ylurea?
The canonical SMILES for 1-(2-methyl-6-propan-2-ylphenyl)-3-prop-1-en-2-ylurea is C=C(C)NC(=O)Nc1c(C)cccc1C(C)C.
What is the InChIKey of 1-(2-methyl-6-propan-2-ylphenyl)-3-prop-1-en-2-ylurea?
The InChIKey is CTNIUPJKHMGQMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-9(2)12-8-6-7-11(5)13(12)16-14(17)15-10(3)4/h6-9H,3H2,1-2,4-5H3,(H2,15,16,17).
What are the key properties of 1-(2-methyl-6-propan-2-ylphenyl)-3-prop-1-en-2-ylurea?
1-(2-methyl-6-propan-2-ylphenyl)-3-prop-1-en-2-ylurea has a molecular weight of 232.33 g/mol, XLogP of 3.77, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-6-propan-2-ylphenyl)-3-prop-1-en-2-ylurea is sourced from PubChem (CID 108910145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).