1-(2-methyl-6-propan-2-ylphenyl)-3-(1-phenylcyclopropyl)urea

C20H24N2O — CID 113215098

IUPAC1-(2-methyl-6-propan-2-ylphenyl)-3-(1-phenylcyclopropyl)urea
SMILESCc1cccc(C(C)C)c1NC(=O)NC1(c2ccccc2)CC1
InChIInChI=1S/C20H24N2O/c1-14(2)17-11-7-8-15(3)18(17)21-19(23)22-20(12-13-20)16-9-5-4-6-10-16/h4-11,14H,12-13H2,1-3H3,(H2,21,22,23)
InChIKeyGULDFGPIKGUBID-UHFFFAOYSA-N
MW308.43 g/mol
LogP4.93
Rot. Bonds4

About 1-(2-methyl-6-propan-2-ylphenyl)-3-(1-phenylcyclopropyl)urea

1-(2-methyl-6-propan-2-ylphenyl)-3-(1-phenylcyclopropyl)urea (PubChem CID 113215098) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is 1-(2-methyl-6-propan-2-ylphenyl)-3-(1-phenylcyclopropyl)urea.

Molecular Properties

Compound Name1-(2-methyl-6-propan-2-ylphenyl)-3-(1-phenylcyclopropyl)urea
PubChem CID113215098
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name1-(2-methyl-6-propan-2-ylphenyl)-3-(1-phenylcyclopropyl)urea
SMILESCc1cccc(C(C)C)c1NC(=O)NC1(c2ccccc2)CC1
InChIInChI=1S/C20H24N2O/c1-14(2)17-11-7-8-15(3)18(17)21-19(23)22-20(12-13-20)16-9-5-4-6-10-16/h4-11,14H,12-13H2,1-3H3,(H2,21,22,23)
InChIKeyGULDFGPIKGUBID-UHFFFAOYSA-N
XLogP4.93
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,6-dimethylphenyl)-3-(1-phenylcyclopropyl)urea
CID 110469284
1-(2-methyl-6-propan-2-ylphenyl)-3-[(1-phenylcyclopentyl)methyl]urea
CID 14977537
2-methyl-3-[(2-methyl-6-propan-2-ylphenyl)carbamoylamino]propanoic acid
CID 62670099
N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 729062
2-cyclopropyl-2-[(2-methyl-6-propan-2-ylphenyl)carbamoylamino]acetic acid
CID 62711201
1-amino-N-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1-carboxamide
CID 65465254
1-[(2S)-3-methylbutan-2-yl]-3-(2-methyl-6-propan-2-ylphenyl)urea
CID 51944614
1-(2,3-dihydro-1H-inden-2-yl)-3-(2-methyl-6-propan-2-ylphenyl)urea
CID 5008117
1-(2-methyl-6-propan-2-ylphenyl)-3-prop-1-en-2-ylurea
CID 108910145
2,2-dichloro-1-methyl-N-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1-carboxamide
CID 51297991
3-[(2-methyl-6-propan-2-ylphenyl)carbamoylamino]propanoic acid
CID 28510886
1-[2,6-di(propan-2-yl)phenyl]-3-[(1-phenylcyclobutyl)methyl]urea
CID 14977526

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-6-propan-2-ylphenyl)-3-(1-phenylcyclopropyl)urea?
The IUPAC name of 1-(2-methyl-6-propan-2-ylphenyl)-3-(1-phenylcyclopropyl)urea (CID 113215098) is 1-(2-methyl-6-propan-2-ylphenyl)-3-(1-phenylcyclopropyl)urea.
What is the SMILES notation for 1-(2-methyl-6-propan-2-ylphenyl)-3-(1-phenylcyclopropyl)urea?
The canonical SMILES for 1-(2-methyl-6-propan-2-ylphenyl)-3-(1-phenylcyclopropyl)urea is Cc1cccc(C(C)C)c1NC(=O)NC1(c2ccccc2)CC1.
What is the InChIKey of 1-(2-methyl-6-propan-2-ylphenyl)-3-(1-phenylcyclopropyl)urea?
The InChIKey is GULDFGPIKGUBID-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O/c1-14(2)17-11-7-8-15(3)18(17)21-19(23)22-20(12-13-20)16-9-5-4-6-10-16/h4-11,14H,12-13H2,1-3H3,(H2,21,22,23).
What are the key properties of 1-(2-methyl-6-propan-2-ylphenyl)-3-(1-phenylcyclopropyl)urea?
1-(2-methyl-6-propan-2-ylphenyl)-3-(1-phenylcyclopropyl)urea has a molecular weight of 308.43 g/mol, XLogP of 4.93, 4 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-(1-phenylcyclopropyl)urea is sourced from PubChem (CID 113215098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).