1-[(2R)-1-hydroxypropan-2-yl]-1-methyl-3-[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]urea

C20H26N2O3 — CID 131963954

IUPAC1-[(2R)-1-hydroxypropan-2-yl]-1-methyl-3-[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]urea
SMILESCc1cccc(COc2ccc(NC(=O)N(C)[C@H](C)CO)c(C)c2)c1
InChIInChI=1S/C20H26N2O3/c1-14-6-5-7-17(10-14)13-25-18-8-9-19(15(2)11-18)21-20(24)22(4)16(3)12-23/h5-11,16,23H,12-13H2,1-4H3,(H,21,24)/t16-/m1/s1
InChIKeyBUAZHBRABJQYMJ-MRXNPFEDSA-N
MW342.44 g/mol
LogP3.73
Rot. Bonds6

About 1-[(2R)-1-hydroxypropan-2-yl]-1-methyl-3-[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]urea

1-[(2R)-1-hydroxypropan-2-yl]-1-methyl-3-[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]urea (PubChem CID 131963954) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is 1-[(2R)-1-hydroxypropan-2-yl]-1-methyl-3-[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]urea.

Molecular Properties

Compound Name1-[(2R)-1-hydroxypropan-2-yl]-1-methyl-3-[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]urea
PubChem CID131963954
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name1-[(2R)-1-hydroxypropan-2-yl]-1-methyl-3-[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]urea
SMILESCc1cccc(COc2ccc(NC(=O)N(C)[C@H](C)CO)c(C)c2)c1
InChIInChI=1S/C20H26N2O3/c1-14-6-5-7-17(10-14)13-25-18-8-9-19(15(2)11-18)21-20(24)22(4)16(3)12-23/h5-11,16,23H,12-13H2,1-4H3,(H,21,24)/t16-/m1/s1
InChIKeyBUAZHBRABJQYMJ-MRXNPFEDSA-N
XLogP3.73
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(2R)-1-hydroxypropan-2-yl]-1-methyl-3-[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]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

4-amino-N-[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]pentanamide;hydrochloride
CID 120562273
2-amino-N-[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]pentanamide
CID 119318002
4-[[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120673483
(E)-N-[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]-3-pyridin-4-ylprop-2-enamide
CID 166196615
3-[3-[(4-chlorophenyl)methoxy]phenyl]-1-(1-hydroxypropan-2-yl)-1-methylurea
CID 110010428
(3R)-3-hydroxy-N-[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]pyrrolidine-1-carboxamide
CID 111431674
1-(1-hydroxypropan-2-yl)-1-methyl-3-(5-methyl-2-phenoxyphenyl)urea
CID 110010652
(E)-N-[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]-3-(1,3-thiazol-5-yl)prop-2-enamide
CID 166232048
1-methoxy-1-methyl-3-[4-[(3-methylphenyl)methoxy]phenyl]urea
CID 12893509
N-[4-[(3-methylphenyl)methoxy]phenyl]acetamide
CID 8522252
(2R)-2-[[3-[(3-methylphenyl)methoxy]phenyl]methylamino]propanoic acid
CID 95003579
1-(2-hydroxyethyl)-3-(2-methyl-4-phenylmethoxyphenyl)urea
CID 111424849

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-1-hydroxypropan-2-yl]-1-methyl-3-[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]urea?
The IUPAC name of 1-[(2R)-1-hydroxypropan-2-yl]-1-methyl-3-[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]urea (CID 131963954) is 1-[(2R)-1-hydroxypropan-2-yl]-1-methyl-3-[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]urea.
What is the SMILES notation for 1-[(2R)-1-hydroxypropan-2-yl]-1-methyl-3-[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]urea?
The canonical SMILES for 1-[(2R)-1-hydroxypropan-2-yl]-1-methyl-3-[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]urea is Cc1cccc(COc2ccc(NC(=O)N(C)[C@H](C)CO)c(C)c2)c1.
What is the InChIKey of 1-[(2R)-1-hydroxypropan-2-yl]-1-methyl-3-[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]urea?
The InChIKey is BUAZHBRABJQYMJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-14-6-5-7-17(10-14)13-25-18-8-9-19(15(2)11-18)21-20(24)22(4)16(3)12-23/h5-11,16,23H,12-13H2,1-4H3,(H,21,24)/t16-/m1/s1.
What are the key properties of 1-[(2R)-1-hydroxypropan-2-yl]-1-methyl-3-[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]urea?
1-[(2R)-1-hydroxypropan-2-yl]-1-methyl-3-[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]urea has a molecular weight of 342.44 g/mol, XLogP of 3.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-1-hydroxypropan-2-yl]-1-methyl-3-[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]urea is sourced from PubChem (CID 131963954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).