1-methyl-3-(3-methyl-4-propan-2-yloxyphenyl)-1-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]urea

C15H21F3N2O3 — CID 97333879

IUPAC1-methyl-3-(3-methyl-4-propan-2-yloxyphenyl)-1-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]urea
SMILESCc1cc(NC(=O)N(C)C[C@@H](O)C(F)(F)F)ccc1OC(C)C
InChIInChI=1S/C15H21F3N2O3/c1-9(2)23-12-6-5-11(7-10(12)3)19-14(22)20(4)8-13(21)15(16,17)18/h5-7,9,13,21H,8H2,1-4H3,(H,19,22)/t13-/m1/s1
InChIKeyWJBFEMFXXFRLBG-CYBMUJFWSA-N
MW334.34 g/mol
LogP3.17
Rot. Bonds5

About 1-methyl-3-(3-methyl-4-propan-2-yloxyphenyl)-1-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]urea

1-methyl-3-(3-methyl-4-propan-2-yloxyphenyl)-1-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]urea (PubChem CID 97333879) has the molecular formula C15H21F3N2O3 and a molecular weight of 334.34 g/mol. Its IUPAC name is 1-methyl-3-(3-methyl-4-propan-2-yloxyphenyl)-1-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]urea.

Molecular Properties

Compound Name1-methyl-3-(3-methyl-4-propan-2-yloxyphenyl)-1-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]urea
PubChem CID97333879
Molecular FormulaC15H21F3N2O3
Molecular Weight334.34 g/mol
Exact Mass334.15
IUPAC Name1-methyl-3-(3-methyl-4-propan-2-yloxyphenyl)-1-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]urea
SMILESCc1cc(NC(=O)N(C)C[C@@H](O)C(F)(F)F)ccc1OC(C)C
InChIInChI=1S/C15H21F3N2O3/c1-9(2)23-12-6-5-11(7-10(12)3)19-14(22)20(4)8-13(21)15(16,17)18/h5-7,9,13,21H,8H2,1-4H3,(H,19,22)/t13-/m1/s1
InChIKeyWJBFEMFXXFRLBG-CYBMUJFWSA-N
XLogP3.17
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-methyl-3-(3-methyl-4-propan-2-yloxyphenyl)-1-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-ethyl-3-fluorophenyl)-1-methyl-1-(3,3,3-trifluoro-2-hydroxypropyl)urea
CID 84598770
2-amino-N-(3-methyl-4-propan-2-yloxyphenyl)acetamide
CID 82494452
1-(3-methyl-4-propan-2-yloxyphenyl)-3-propan-2-ylurea
CID 110774552
1-butyl-1-(2-hydroxyethyl)-3-(3-methyl-4-propan-2-yloxyphenyl)urea
CID 111475205
1-methyl-3-(3-pyrrolidin-1-ylphenyl)-1-(3,3,3-trifluoro-2-hydroxypropyl)urea
CID 84598426
(2S)-2-amino-3,3-dimethyl-N-(3-methyl-4-propan-2-yloxyphenyl)butanamide
CID 119802599
N-[4-[(2R)-butan-2-yl]oxy-3-methylphenyl]-2,2,2-trifluoroacetamide
CID 100688491
1-(2-hydroxypropyl)-1-methyl-3-[4-(trifluoromethyl)phenyl]urea
CID 62333331
(2S)-3-[(4-bromo-3-methylphenyl)carbamoyl-methylamino]-N,2-dimethylpropanamide
CID 96569550
1-(1-methoxypropan-2-yl)-3-(3-methyl-4-propan-2-yloxyphenyl)urea
CID 71991952
2-(cyclopropylmethylamino)-N-(3-methyl-4-propan-2-yloxyphenyl)acetamide
CID 119802601
4-(methylamino)-N-(3-methyl-4-propan-2-yloxyphenyl)butanamide
CID 119802582

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(3-methyl-4-propan-2-yloxyphenyl)-1-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]urea?
The IUPAC name of 1-methyl-3-(3-methyl-4-propan-2-yloxyphenyl)-1-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]urea (CID 97333879) is 1-methyl-3-(3-methyl-4-propan-2-yloxyphenyl)-1-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]urea.
What is the SMILES notation for 1-methyl-3-(3-methyl-4-propan-2-yloxyphenyl)-1-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]urea?
The canonical SMILES for 1-methyl-3-(3-methyl-4-propan-2-yloxyphenyl)-1-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]urea is Cc1cc(NC(=O)N(C)C[C@@H](O)C(F)(F)F)ccc1OC(C)C.
What is the InChIKey of 1-methyl-3-(3-methyl-4-propan-2-yloxyphenyl)-1-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]urea?
The InChIKey is WJBFEMFXXFRLBG-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H21F3N2O3/c1-9(2)23-12-6-5-11(7-10(12)3)19-14(22)20(4)8-13(21)15(16,17)18/h5-7,9,13,21H,8H2,1-4H3,(H,19,22)/t13-/m1/s1.
What are the key properties of 1-methyl-3-(3-methyl-4-propan-2-yloxyphenyl)-1-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]urea?
1-methyl-3-(3-methyl-4-propan-2-yloxyphenyl)-1-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]urea has a molecular weight of 334.34 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(3-methyl-4-propan-2-yloxyphenyl)-1-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]urea is sourced from PubChem (CID 97333879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).