1-(3,3-diphenylpropyl)-1-(2-methylpropyl)-3-[4-(trifluoromethyl)phenyl]urea

C27H29F3N2O — CID 69028477

IUPAC1-(3,3-diphenylpropyl)-1-(2-methylpropyl)-3-[4-(trifluoromethyl)phenyl]urea
SMILESCC(C)CN(CCC(c1ccccc1)c1ccccc1)C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C27H29F3N2O/c1-20(2)19-32(26(33)31-24-15-13-23(14-16-24)27(28,29)30)18-17-25(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-16,20,25H,17-19H2,1-2H3,(H,31,33)
InChIKeyMDOMXEHCXNSOIT-UHFFFAOYSA-N
MW454.54 g/mol
LogP7.42
Rot. Bonds8

About 1-(3,3-diphenylpropyl)-1-(2-methylpropyl)-3-[4-(trifluoromethyl)phenyl]urea

1-(3,3-diphenylpropyl)-1-(2-methylpropyl)-3-[4-(trifluoromethyl)phenyl]urea (PubChem CID 69028477) has the molecular formula C27H29F3N2O and a molecular weight of 454.54 g/mol. Its IUPAC name is 1-(3,3-diphenylpropyl)-1-(2-methylpropyl)-3-[4-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-(3,3-diphenylpropyl)-1-(2-methylpropyl)-3-[4-(trifluoromethyl)phenyl]urea
PubChem CID69028477
Molecular FormulaC27H29F3N2O
Molecular Weight454.54 g/mol
Exact Mass454.22
IUPAC Name1-(3,3-diphenylpropyl)-1-(2-methylpropyl)-3-[4-(trifluoromethyl)phenyl]urea
SMILESCC(C)CN(CCC(c1ccccc1)c1ccccc1)C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C27H29F3N2O/c1-20(2)19-32(26(33)31-24-15-13-23(14-16-24)27(28,29)30)18-17-25(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-16,20,25H,17-19H2,1-2H3,(H,31,33)
InChIKeyMDOMXEHCXNSOIT-UHFFFAOYSA-N
XLogP7.42
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.54
LogP ≤ 57.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,3-diphenylpropyl)-3-(4-methylphenyl)-1-(2-methylpropyl)urea
CID 69028236
1-(3,3-diphenylpropyl)-1-(2-methylpropyl)-3-(4-phenoxyphenyl)urea
CID 69028216
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
N-benzyl-3-[1-phenylethyl-[[4-(trifluoromethyl)phenyl]carbamoyl]amino]propanamide
CID 42698745
1-ethyl-1-(2-hydroxypropyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 51102226
1-(3,3-diphenylpropyl)-3-(2-methoxyphenyl)-1-[[4-(trifluoromethyl)phenyl]methyl]urea
CID 42698400
1-(2-hydroxypropyl)-1-methyl-3-[4-(trifluoromethyl)phenyl]urea
CID 62333331
3-(1-phenylethylamino)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 109020331
1-[(1S)-1-phenylethyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 52592652
N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-[2-methylpropyl-[[4-(trifluoromethyl)phenyl]carbamoyl]amino]acetamide
CID 4666820
2-[methyl-[[4-(trifluoromethyl)phenyl]carbamoyl]amino]acetic acid
CID 43318418

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-diphenylpropyl)-1-(2-methylpropyl)-3-[4-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-(3,3-diphenylpropyl)-1-(2-methylpropyl)-3-[4-(trifluoromethyl)phenyl]urea (CID 69028477) is 1-(3,3-diphenylpropyl)-1-(2-methylpropyl)-3-[4-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-(3,3-diphenylpropyl)-1-(2-methylpropyl)-3-[4-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-(3,3-diphenylpropyl)-1-(2-methylpropyl)-3-[4-(trifluoromethyl)phenyl]urea is CC(C)CN(CCC(c1ccccc1)c1ccccc1)C(=O)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-(3,3-diphenylpropyl)-1-(2-methylpropyl)-3-[4-(trifluoromethyl)phenyl]urea?
The InChIKey is MDOMXEHCXNSOIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29F3N2O/c1-20(2)19-32(26(33)31-24-15-13-23(14-16-24)27(28,29)30)18-17-25(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-16,20,25H,17-19H2,1-2H3,(H,31,33).
What are the key properties of 1-(3,3-diphenylpropyl)-1-(2-methylpropyl)-3-[4-(trifluoromethyl)phenyl]urea?
1-(3,3-diphenylpropyl)-1-(2-methylpropyl)-3-[4-(trifluoromethyl)phenyl]urea has a molecular weight of 454.54 g/mol, XLogP of 7.42, 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)-1-(2-methylpropyl)-3-[4-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 69028477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).