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

C31H29F3N2O2 — CID 42698400

IUPAC1-(3,3-diphenylpropyl)-3-(2-methoxyphenyl)-1-[[4-(trifluoromethyl)phenyl]methyl]urea
SMILESCOc1ccccc1NC(=O)N(CCC(c1ccccc1)c1ccccc1)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C31H29F3N2O2/c1-38-29-15-9-8-14-28(29)35-30(37)36(22-23-16-18-26(19-17-23)31(32,33)34)21-20-27(24-10-4-2-5-11-24)25-12-6-3-7-13-25/h2-19,27H,20-22H2,1H3,(H,35,37)
InChIKeyIGGGQGHYUAGFAX-UHFFFAOYSA-N
MW518.58 g/mol
LogP7.97
Rot. Bonds9

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

1-(3,3-diphenylpropyl)-3-(2-methoxyphenyl)-1-[[4-(trifluoromethyl)phenyl]methyl]urea (PubChem CID 42698400) has the molecular formula C31H29F3N2O2 and a molecular weight of 518.58 g/mol. Its IUPAC name is 1-(3,3-diphenylpropyl)-3-(2-methoxyphenyl)-1-[[4-(trifluoromethyl)phenyl]methyl]urea.

Molecular Properties

Compound Name1-(3,3-diphenylpropyl)-3-(2-methoxyphenyl)-1-[[4-(trifluoromethyl)phenyl]methyl]urea
PubChem CID42698400
Molecular FormulaC31H29F3N2O2
Molecular Weight518.58 g/mol
Exact Mass518.22
IUPAC Name1-(3,3-diphenylpropyl)-3-(2-methoxyphenyl)-1-[[4-(trifluoromethyl)phenyl]methyl]urea
SMILESCOc1ccccc1NC(=O)N(CCC(c1ccccc1)c1ccccc1)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C31H29F3N2O2/c1-38-29-15-9-8-14-28(29)35-30(37)36(22-23-16-18-26(19-17-23)31(32,33)34)21-20-27(24-10-4-2-5-11-24)25-12-6-3-7-13-25/h2-19,27H,20-22H2,1H3,(H,35,37)
InChIKeyIGGGQGHYUAGFAX-UHFFFAOYSA-N
XLogP7.97
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.58
LogP ≤ 57.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3,3-diphenylpropyl)-3-(2-methoxyphenyl)-1-[[4-(trifluoromethyl)phenyl]methyl]urea with MolForge

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Related Compounds

3-[benzyl-[(2-methoxyphenyl)carbamoyl]amino]-N-(3,3-diphenylpropyl)propanamide
CID 42699471
1-benzyl-3-(2-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]urea
CID 47053425
1-(3,3-diphenylpropyl)-1-(2-methylpropyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 69028477
N-(3,3-diphenylpropyl)-3-(trifluoromethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 42698385
1-[[(5R)-3-[4-(dimethylamino)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3-(2-methoxyphenyl)-1-[[4-(trifluoromethyl)phenyl]methyl]urea
CID 93115844
3-(2-methoxyphenyl)-1-methyl-1-[[4-(trifluoromethoxy)phenyl]methyl]urea
CID 55570707
3-cyclohexyl-1-(3,3-diphenylpropyl)-1-[(4-methoxyphenyl)methyl]urea
CID 42696184
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-methoxyphenyl)-1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]urea
CID 4562686
1-benzyl-1-[(3,4-dimethoxyphenyl)methyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 3849975
N-(2-methoxyphenyl)-3-[4-(trifluoromethyl)anilino]propanamide
CID 109039356
1-ethyl-1-[(3-fluorophenyl)methyl]-3-(2-methoxyphenyl)urea
CID 24528941
1,1-dibenzyl-3-(2-sulfanylphenyl)urea
CID 108886407

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-diphenylpropyl)-3-(2-methoxyphenyl)-1-[[4-(trifluoromethyl)phenyl]methyl]urea?
The IUPAC name of 1-(3,3-diphenylpropyl)-3-(2-methoxyphenyl)-1-[[4-(trifluoromethyl)phenyl]methyl]urea (CID 42698400) is 1-(3,3-diphenylpropyl)-3-(2-methoxyphenyl)-1-[[4-(trifluoromethyl)phenyl]methyl]urea.
What is the SMILES notation for 1-(3,3-diphenylpropyl)-3-(2-methoxyphenyl)-1-[[4-(trifluoromethyl)phenyl]methyl]urea?
The canonical SMILES for 1-(3,3-diphenylpropyl)-3-(2-methoxyphenyl)-1-[[4-(trifluoromethyl)phenyl]methyl]urea is COc1ccccc1NC(=O)N(CCC(c1ccccc1)c1ccccc1)Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-(3,3-diphenylpropyl)-3-(2-methoxyphenyl)-1-[[4-(trifluoromethyl)phenyl]methyl]urea?
The InChIKey is IGGGQGHYUAGFAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29F3N2O2/c1-38-29-15-9-8-14-28(29)35-30(37)36(22-23-16-18-26(19-17-23)31(32,33)34)21-20-27(24-10-4-2-5-11-24)25-12-6-3-7-13-25/h2-19,27H,20-22H2,1H3,(H,35,37).
What are the key properties of 1-(3,3-diphenylpropyl)-3-(2-methoxyphenyl)-1-[[4-(trifluoromethyl)phenyl]methyl]urea?
1-(3,3-diphenylpropyl)-3-(2-methoxyphenyl)-1-[[4-(trifluoromethyl)phenyl]methyl]urea has a molecular weight of 518.58 g/mol, XLogP of 7.97, 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-(2-methoxyphenyl)-1-[[4-(trifluoromethyl)phenyl]methyl]urea is sourced from PubChem (CID 42698400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).