1-(3,3-diphenylpropyl)-3-(3-methoxyphenyl)-1-(2-methylpropyl)urea

C27H32N2O2 — CID 25175472

IUPAC1-(3,3-diphenylpropyl)-3-(3-methoxyphenyl)-1-(2-methylpropyl)urea
SMILESCOc1cccc(NC(=O)N(CCC(c2ccccc2)c2ccccc2)CC(C)C)c1
InChIInChI=1S/C27H32N2O2/c1-21(2)20-29(27(30)28-24-15-10-16-25(19-24)31-3)18-17-26(22-11-6-4-7-12-22)23-13-8-5-9-14-23/h4-16,19,21,26H,17-18,20H2,1-3H3,(H,28,30)
InChIKeyAZIFEQTWSIFKJM-UHFFFAOYSA-N
MW416.57 g/mol
LogP6.41
Rot. Bonds9

About 1-(3,3-diphenylpropyl)-3-(3-methoxyphenyl)-1-(2-methylpropyl)urea

1-(3,3-diphenylpropyl)-3-(3-methoxyphenyl)-1-(2-methylpropyl)urea (PubChem CID 25175472) has the molecular formula C27H32N2O2 and a molecular weight of 416.57 g/mol. Its IUPAC name is 1-(3,3-diphenylpropyl)-3-(3-methoxyphenyl)-1-(2-methylpropyl)urea.

Molecular Properties

Compound Name1-(3,3-diphenylpropyl)-3-(3-methoxyphenyl)-1-(2-methylpropyl)urea
PubChem CID25175472
Molecular FormulaC27H32N2O2
Molecular Weight416.57 g/mol
Exact Mass416.25
IUPAC Name1-(3,3-diphenylpropyl)-3-(3-methoxyphenyl)-1-(2-methylpropyl)urea
SMILESCOc1cccc(NC(=O)N(CCC(c2ccccc2)c2ccccc2)CC(C)C)c1
InChIInChI=1S/C27H32N2O2/c1-21(2)20-29(27(30)28-24-15-10-16-25(19-24)31-3)18-17-26(22-11-6-4-7-12-22)23-13-8-5-9-14-23/h4-16,19,21,26H,17-18,20H2,1-3H3,(H,28,30)
InChIKeyAZIFEQTWSIFKJM-UHFFFAOYSA-N
XLogP6.41
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.57
LogP ≤ 56.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,3-diphenylpropyl)-1-(2-methylpropyl)-3-(4-phenoxyphenyl)urea
CID 69028216
1-(3,3-diphenylpropyl)-3-(4-methylphenyl)-1-(2-methylpropyl)urea
CID 69028236
1-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-3-(3-methoxyphenyl)-1-(2-methylpropyl)urea
CID 95772319
3-[acetyl(3-methylbutyl)amino]-N-(3-methoxyphenyl)propanamide
CID 113122930
1-(3,3-diphenylpropyl)-1-(2-methylpropyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 69028477
2-[acetyl(3-methylbutyl)amino]-N-(3-methoxyphenyl)acetamide
CID 113166581
1,1-bis(2-methoxyethyl)-3-(3-methoxyphenyl)urea
CID 108869156
3-[(3-methoxyphenyl)carbamoyl-(1-phenylethyl)amino]-N-(2-phenylethyl)propanamide
CID 42702946
1-(2-methoxyethyl)-1-(2-methylpropyl)-3-[3-(2-phenylethynyl)phenyl]urea
CID 112825382
1-(anthracen-9-ylmethyl)-3-(3-methoxyphenyl)-1-(2-phenylethyl)urea
CID 3297746
N-(3-methoxyphenyl)-N'-(1-phenylethyl)propanediamide
CID 108945966
N-[3-[bis(3-methylbutyl)carbamoylamino]phenyl]-2-methoxyacetamide
CID 55697276

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-diphenylpropyl)-3-(3-methoxyphenyl)-1-(2-methylpropyl)urea?
The IUPAC name of 1-(3,3-diphenylpropyl)-3-(3-methoxyphenyl)-1-(2-methylpropyl)urea (CID 25175472) is 1-(3,3-diphenylpropyl)-3-(3-methoxyphenyl)-1-(2-methylpropyl)urea.
What is the SMILES notation for 1-(3,3-diphenylpropyl)-3-(3-methoxyphenyl)-1-(2-methylpropyl)urea?
The canonical SMILES for 1-(3,3-diphenylpropyl)-3-(3-methoxyphenyl)-1-(2-methylpropyl)urea is COc1cccc(NC(=O)N(CCC(c2ccccc2)c2ccccc2)CC(C)C)c1.
What is the InChIKey of 1-(3,3-diphenylpropyl)-3-(3-methoxyphenyl)-1-(2-methylpropyl)urea?
The InChIKey is AZIFEQTWSIFKJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O2/c1-21(2)20-29(27(30)28-24-15-10-16-25(19-24)31-3)18-17-26(22-11-6-4-7-12-22)23-13-8-5-9-14-23/h4-16,19,21,26H,17-18,20H2,1-3H3,(H,28,30).
What are the key properties of 1-(3,3-diphenylpropyl)-3-(3-methoxyphenyl)-1-(2-methylpropyl)urea?
1-(3,3-diphenylpropyl)-3-(3-methoxyphenyl)-1-(2-methylpropyl)urea has a molecular weight of 416.57 g/mol, XLogP of 6.41, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-diphenylpropyl)-3-(3-methoxyphenyl)-1-(2-methylpropyl)urea is sourced from PubChem (CID 25175472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).