1-(3,3-diphenylpropyl)-3-(4-methylphenyl)-1-(2-methylpropyl)urea

C27H32N2O — CID 69028236

IUPAC1-(3,3-diphenylpropyl)-3-(4-methylphenyl)-1-(2-methylpropyl)urea
SMILESCc1ccc(NC(=O)N(CCC(c2ccccc2)c2ccccc2)CC(C)C)cc1
InChIInChI=1S/C27H32N2O/c1-21(2)20-29(27(30)28-25-16-14-22(3)15-17-25)19-18-26(23-10-6-4-7-11-23)24-12-8-5-9-13-24/h4-17,21,26H,18-20H2,1-3H3,(H,28,30)
InChIKeyRGIKGNMUHRFHEN-UHFFFAOYSA-N
MW400.57 g/mol
LogP6.71
Rot. Bonds8

About 1-(3,3-diphenylpropyl)-3-(4-methylphenyl)-1-(2-methylpropyl)urea

1-(3,3-diphenylpropyl)-3-(4-methylphenyl)-1-(2-methylpropyl)urea (PubChem CID 69028236) has the molecular formula C27H32N2O and a molecular weight of 400.57 g/mol. Its IUPAC name is 1-(3,3-diphenylpropyl)-3-(4-methylphenyl)-1-(2-methylpropyl)urea.

Molecular Properties

Compound Name1-(3,3-diphenylpropyl)-3-(4-methylphenyl)-1-(2-methylpropyl)urea
PubChem CID69028236
Molecular FormulaC27H32N2O
Molecular Weight400.57 g/mol
Exact Mass400.25
IUPAC Name1-(3,3-diphenylpropyl)-3-(4-methylphenyl)-1-(2-methylpropyl)urea
SMILESCc1ccc(NC(=O)N(CCC(c2ccccc2)c2ccccc2)CC(C)C)cc1
InChIInChI=1S/C27H32N2O/c1-21(2)20-29(27(30)28-25-16-14-22(3)15-17-25)19-18-26(23-10-6-4-7-11-23)24-12-8-5-9-13-24/h4-17,21,26H,18-20H2,1-3H3,(H,28,30)
InChIKeyRGIKGNMUHRFHEN-UHFFFAOYSA-N
XLogP6.71
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.57
LogP ≤ 56.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,3-diphenylpropyl)-1-(2-methylpropyl)-3-(4-phenoxyphenyl)urea
CID 69028216
1-(3,3-diphenylpropyl)-1-(2-methylpropyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 69028477
1-(3,3-diphenylpropyl)-3-(3-methoxyphenyl)-1-(2-methylpropyl)urea
CID 25175472
N-(3,3-diphenylpropyl)-3-[2-methylpropyl-[(4-propan-2-ylphenyl)carbamoyl]amino]propanamide
CID 42698814
4-[2-[[3,3-diphenylpropyl-[(4-methylphenyl)carbamoyl]amino]methyl]prop-2-enyl]piperazine-1-carboxylic acid
CID 172714176
3-(4-chlorophenyl)-1-[(2-chlorophenyl)methyl]-1-(3,3-diphenylpropyl)urea
CID 4541691
2-[acetyl(3-methylbutyl)amino]-N-(4-methylphenyl)acetamide
CID 113166544
1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)-3-(4-phenylphenyl)urea
CID 16735041
3-[benzyl-[(4-methylphenyl)carbamoyl]amino]propanoate
CID 6930575
1,1-bis(2-methylpropyl)-3-(4-pyrrol-1-ylphenyl)urea
CID 108886840
ethyl 3-[(4-bromophenyl)carbamoyl-(2-methylpropyl)amino]propanoate
CID 42697945
3-(4-bromophenyl)-1-[(3,4-dichlorophenyl)methyl]-1-(3,3-diphenylpropyl)urea
CID 42657018

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-diphenylpropyl)-3-(4-methylphenyl)-1-(2-methylpropyl)urea?
The IUPAC name of 1-(3,3-diphenylpropyl)-3-(4-methylphenyl)-1-(2-methylpropyl)urea (CID 69028236) is 1-(3,3-diphenylpropyl)-3-(4-methylphenyl)-1-(2-methylpropyl)urea.
What is the SMILES notation for 1-(3,3-diphenylpropyl)-3-(4-methylphenyl)-1-(2-methylpropyl)urea?
The canonical SMILES for 1-(3,3-diphenylpropyl)-3-(4-methylphenyl)-1-(2-methylpropyl)urea is Cc1ccc(NC(=O)N(CCC(c2ccccc2)c2ccccc2)CC(C)C)cc1.
What is the InChIKey of 1-(3,3-diphenylpropyl)-3-(4-methylphenyl)-1-(2-methylpropyl)urea?
The InChIKey is RGIKGNMUHRFHEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O/c1-21(2)20-29(27(30)28-25-16-14-22(3)15-17-25)19-18-26(23-10-6-4-7-11-23)24-12-8-5-9-13-24/h4-17,21,26H,18-20H2,1-3H3,(H,28,30).
What are the key properties of 1-(3,3-diphenylpropyl)-3-(4-methylphenyl)-1-(2-methylpropyl)urea?
1-(3,3-diphenylpropyl)-3-(4-methylphenyl)-1-(2-methylpropyl)urea has a molecular weight of 400.57 g/mol, XLogP of 6.71, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-diphenylpropyl)-3-(4-methylphenyl)-1-(2-methylpropyl)urea is sourced from PubChem (CID 69028236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).