1-[(1R)-3-hydroxy-1-phenylpropyl]-3-[1-(4-methoxyphenyl)propyl]urea

C20H26N2O3 — CID 111454052

IUPAC1-[(1R)-3-hydroxy-1-phenylpropyl]-3-[1-(4-methoxyphenyl)propyl]urea
SMILESCCC(NC(=O)N[C@H](CCO)c1ccccc1)c1ccc(OC)cc1
InChIInChI=1S/C20H26N2O3/c1-3-18(16-9-11-17(25-2)12-10-16)21-20(24)22-19(13-14-23)15-7-5-4-6-8-15/h4-12,18-19,23H,3,13-14H2,1-2H3,(H2,21,22,24)/t18?,19-/m1/s1
InChIKeyYWLKEZWVHHMCDH-MUMRKEEXSA-N
MW342.44 g/mol
LogP3.57
Rot. Bonds8

About 1-[(1R)-3-hydroxy-1-phenylpropyl]-3-[1-(4-methoxyphenyl)propyl]urea

1-[(1R)-3-hydroxy-1-phenylpropyl]-3-[1-(4-methoxyphenyl)propyl]urea (PubChem CID 111454052) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is 1-[(1R)-3-hydroxy-1-phenylpropyl]-3-[1-(4-methoxyphenyl)propyl]urea.

Molecular Properties

Compound Name1-[(1R)-3-hydroxy-1-phenylpropyl]-3-[1-(4-methoxyphenyl)propyl]urea
PubChem CID111454052
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name1-[(1R)-3-hydroxy-1-phenylpropyl]-3-[1-(4-methoxyphenyl)propyl]urea
SMILESCCC(NC(=O)N[C@H](CCO)c1ccccc1)c1ccc(OC)cc1
InChIInChI=1S/C20H26N2O3/c1-3-18(16-9-11-17(25-2)12-10-16)21-20(24)22-19(13-14-23)15-7-5-4-6-8-15/h4-12,18-19,23H,3,13-14H2,1-2H3,(H2,21,22,24)/t18?,19-/m1/s1
InChIKeyYWLKEZWVHHMCDH-MUMRKEEXSA-N
XLogP3.57
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[(1R)-3-hydroxy-1-phenylpropyl]-3-[1-(4-methoxyphenyl)propyl]urea with MolForge

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Related Compounds

1-(4-methoxyphenyl)-3-(1-phenylpropyl)urea
CID 6469359
N-[1-(4-methoxyphenyl)propyl]-2,2-diphenylacetamide
CID 55371775
N-[1-(4-methoxyphenyl)propyl]-2-phenylbutanamide
CID 43027690
N-[(1R)-1-(4-methoxyphenyl)propyl]-2-phenylacetamide
CID 28632525
2-(4-methoxyphenoxy)-N-(1-phenylpropyl)acetamide
CID 17328005
N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide
CID 10774699
1-(2-methoxyphenyl)-3-[1-(4-methoxyphenyl)propyl]urea
CID 78798433
1-[1-(4-methoxyphenyl)propyl]-3-propylurea
CID 133230838
1-(2-hydroxy-2-phenylpropyl)-3-[1-(4-methoxyphenyl)propyl]urea
CID 111335702
3-amino-N-[1-(4-methoxyphenyl)propyl]-2-methyl-3-phenylpropanamide
CID 119689348
N-[(1R)-1-(4-methoxyphenyl)propyl]-2-phenylsulfanylacetamide
CID 28958195
1-(4-methoxy-2-methylphenyl)-3-(1-phenylpropyl)urea
CID 3395267

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-3-hydroxy-1-phenylpropyl]-3-[1-(4-methoxyphenyl)propyl]urea?
The IUPAC name of 1-[(1R)-3-hydroxy-1-phenylpropyl]-3-[1-(4-methoxyphenyl)propyl]urea (CID 111454052) is 1-[(1R)-3-hydroxy-1-phenylpropyl]-3-[1-(4-methoxyphenyl)propyl]urea.
What is the SMILES notation for 1-[(1R)-3-hydroxy-1-phenylpropyl]-3-[1-(4-methoxyphenyl)propyl]urea?
The canonical SMILES for 1-[(1R)-3-hydroxy-1-phenylpropyl]-3-[1-(4-methoxyphenyl)propyl]urea is CCC(NC(=O)N[C@H](CCO)c1ccccc1)c1ccc(OC)cc1.
What is the InChIKey of 1-[(1R)-3-hydroxy-1-phenylpropyl]-3-[1-(4-methoxyphenyl)propyl]urea?
The InChIKey is YWLKEZWVHHMCDH-MUMRKEEXSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-3-18(16-9-11-17(25-2)12-10-16)21-20(24)22-19(13-14-23)15-7-5-4-6-8-15/h4-12,18-19,23H,3,13-14H2,1-2H3,(H2,21,22,24)/t18?,19-/m1/s1.
What are the key properties of 1-[(1R)-3-hydroxy-1-phenylpropyl]-3-[1-(4-methoxyphenyl)propyl]urea?
1-[(1R)-3-hydroxy-1-phenylpropyl]-3-[1-(4-methoxyphenyl)propyl]urea has a molecular weight of 342.44 g/mol, XLogP of 3.57, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-3-hydroxy-1-phenylpropyl]-3-[1-(4-methoxyphenyl)propyl]urea is sourced from PubChem (CID 111454052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).