1-[(2R)-1-(3-methylphenoxy)propan-2-yl]-3-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea

C19H28N4O2 — CID 95733895

IUPAC1-[(2R)-1-(3-methylphenoxy)propan-2-yl]-3-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
SMILESCc1cccc(OC[C@@H](C)NC(=O)N[C@H](C)c2c(C)nn(C)c2C)c1
InChIInChI=1S/C19H28N4O2/c1-12-8-7-9-17(10-12)25-11-13(2)20-19(24)21-14(3)18-15(4)22-23(6)16(18)5/h7-10,13-14H,11H2,1-6H3,(H2,20,21,24)/t13-,14-/m1/s1
InChIKeyYPVYZGUPDSNPKW-ZIAGYGMSSA-N
MW344.46 g/mol
LogP3.17
Rot. Bonds6

About 1-[(2R)-1-(3-methylphenoxy)propan-2-yl]-3-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea

1-[(2R)-1-(3-methylphenoxy)propan-2-yl]-3-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea (PubChem CID 95733895) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 1-[(2R)-1-(3-methylphenoxy)propan-2-yl]-3-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea.

Molecular Properties

Compound Name1-[(2R)-1-(3-methylphenoxy)propan-2-yl]-3-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
PubChem CID95733895
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name1-[(2R)-1-(3-methylphenoxy)propan-2-yl]-3-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
SMILESCc1cccc(OC[C@@H](C)NC(=O)N[C@H](C)c2c(C)nn(C)c2C)c1
InChIInChI=1S/C19H28N4O2/c1-12-8-7-9-17(10-12)25-11-13(2)20-19(24)21-14(3)18-15(4)22-23(6)16(18)5/h7-10,13-14H,11H2,1-6H3,(H2,20,21,24)/t13-,14-/m1/s1
InChIKeyYPVYZGUPDSNPKW-ZIAGYGMSSA-N
XLogP3.17
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(3-methoxyphenoxy)ethyl]-3-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
CID 95032730
1-(1-phenylethyl)-3-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
CID 60595650
2-(3-methoxyphenyl)-N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide
CID 95588667
1-[(2R)-1-(3-methylphenoxy)propan-2-yl]-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea
CID 95761083
N-[1-(3-methylphenoxy)propan-2-yl]pyrrolidine-1-carboxamide
CID 60568058
N-[(2R)-1-(3-methylphenoxy)propan-2-yl]pyrrolidine-1-carboxamide
CID 94503636
2-(3-fluorophenyl)-N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide
CID 95588665
N-[1-(3-methylphenoxy)propan-2-yl]-2-propan-2-ylsulfonylacetamide
CID 86828499
2-amino-N-[1-(3-methylphenoxy)propan-2-yl]-2-(4-methylphenyl)acetamide
CID 120667713
4-(aminomethyl)-N-[1-(3-methylphenoxy)propan-2-yl]benzamide
CID 119300010
1-[(2S)-2-phenylbutan-2-yl]-3-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
CID 95760938
4-(ethylsulfamoyl)-N-[1-(3-methylphenoxy)propan-2-yl]benzamide
CID 86830095

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-1-(3-methylphenoxy)propan-2-yl]-3-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea?
The IUPAC name of 1-[(2R)-1-(3-methylphenoxy)propan-2-yl]-3-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea (CID 95733895) is 1-[(2R)-1-(3-methylphenoxy)propan-2-yl]-3-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea.
What is the SMILES notation for 1-[(2R)-1-(3-methylphenoxy)propan-2-yl]-3-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea?
The canonical SMILES for 1-[(2R)-1-(3-methylphenoxy)propan-2-yl]-3-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea is Cc1cccc(OC[C@@H](C)NC(=O)N[C@H](C)c2c(C)nn(C)c2C)c1.
What is the InChIKey of 1-[(2R)-1-(3-methylphenoxy)propan-2-yl]-3-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea?
The InChIKey is YPVYZGUPDSNPKW-ZIAGYGMSSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-12-8-7-9-17(10-12)25-11-13(2)20-19(24)21-14(3)18-15(4)22-23(6)16(18)5/h7-10,13-14H,11H2,1-6H3,(H2,20,21,24)/t13-,14-/m1/s1.
What are the key properties of 1-[(2R)-1-(3-methylphenoxy)propan-2-yl]-3-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea?
1-[(2R)-1-(3-methylphenoxy)propan-2-yl]-3-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea has a molecular weight of 344.46 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-1-(3-methylphenoxy)propan-2-yl]-3-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea is sourced from PubChem (CID 95733895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).