1-(2,3-dihydro-1H-inden-2-yl)-3-(2-methyl-6-propan-2-ylphenyl)urea

C20H24N2O — CID 5008117

IUPAC1-(2,3-dihydro-1H-inden-2-yl)-3-(2-methyl-6-propan-2-ylphenyl)urea
SMILESCc1cccc(C(C)C)c1NC(=O)NC1Cc2ccccc2C1
InChIInChI=1S/C20H24N2O/c1-13(2)18-10-6-7-14(3)19(18)22-20(23)21-17-11-15-8-4-5-9-16(15)12-17/h4-10,13,17H,11-12H2,1-3H3,(H2,21,22,23)
InChIKeyOHPLOZYPQJAHGB-UHFFFAOYSA-N
MW308.43 g/mol
LogP4.41
Rot. Bonds3

About 1-(2,3-dihydro-1H-inden-2-yl)-3-(2-methyl-6-propan-2-ylphenyl)urea

1-(2,3-dihydro-1H-inden-2-yl)-3-(2-methyl-6-propan-2-ylphenyl)urea (PubChem CID 5008117) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-2-yl)-3-(2-methyl-6-propan-2-ylphenyl)urea.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-2-yl)-3-(2-methyl-6-propan-2-ylphenyl)urea
PubChem CID5008117
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name1-(2,3-dihydro-1H-inden-2-yl)-3-(2-methyl-6-propan-2-ylphenyl)urea
SMILESCc1cccc(C(C)C)c1NC(=O)NC1Cc2ccccc2C1
InChIInChI=1S/C20H24N2O/c1-13(2)18-10-6-7-14(3)19(18)22-20(23)21-17-11-15-8-4-5-9-16(15)12-17/h4-10,13,17H,11-12H2,1-3H3,(H2,21,22,23)
InChIKeyOHPLOZYPQJAHGB-UHFFFAOYSA-N
XLogP4.41
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-methylcyclohexyl)-3-(2-methyl-6-propan-2-ylphenyl)urea
CID 47032242
N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 729062
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-(2,5-dimethylphenyl)urea
CID 23795651
1-(2-methyl-6-propan-2-ylphenyl)-3-(1-phenylcyclopropyl)urea
CID 113215098
1-(2-methyl-6-propan-2-ylphenyl)-3-prop-1-en-2-ylurea
CID 108910145
2-cyclopropyl-2-[(2-methyl-6-propan-2-ylphenyl)carbamoylamino]acetic acid
CID 62711201
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-(2-methyl-6-propan-2-ylphenyl)-3-pyridin-2-ylurea
CID 110491803
1-(4-cyclohexylcyclohexyl)-3-[2,6-di(propan-2-yl)phenyl]urea
CID 19935038
1-(2,2-dimethoxyethyl)-3-(2-methyl-6-propan-2-ylphenyl)urea
CID 3743280

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-2-yl)-3-(2-methyl-6-propan-2-ylphenyl)urea?
The IUPAC name of 1-(2,3-dihydro-1H-inden-2-yl)-3-(2-methyl-6-propan-2-ylphenyl)urea (CID 5008117) is 1-(2,3-dihydro-1H-inden-2-yl)-3-(2-methyl-6-propan-2-ylphenyl)urea.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-2-yl)-3-(2-methyl-6-propan-2-ylphenyl)urea?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-2-yl)-3-(2-methyl-6-propan-2-ylphenyl)urea is Cc1cccc(C(C)C)c1NC(=O)NC1Cc2ccccc2C1.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-2-yl)-3-(2-methyl-6-propan-2-ylphenyl)urea?
The InChIKey is OHPLOZYPQJAHGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O/c1-13(2)18-10-6-7-14(3)19(18)22-20(23)21-17-11-15-8-4-5-9-16(15)12-17/h4-10,13,17H,11-12H2,1-3H3,(H2,21,22,23).
What are the key properties of 1-(2,3-dihydro-1H-inden-2-yl)-3-(2-methyl-6-propan-2-ylphenyl)urea?
1-(2,3-dihydro-1H-inden-2-yl)-3-(2-methyl-6-propan-2-ylphenyl)urea has a molecular weight of 308.43 g/mol, XLogP of 4.41, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-2-yl)-3-(2-methyl-6-propan-2-ylphenyl)urea is sourced from PubChem (CID 5008117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).