1-[(1R)-3-hydroxy-1-phenylpropyl]-3-[2-(2-methoxy-5-methylphenyl)ethyl]urea

C20H26N2O3 — CID 111454117

IUPAC1-[(1R)-3-hydroxy-1-phenylpropyl]-3-[2-(2-methoxy-5-methylphenyl)ethyl]urea
SMILESCOc1ccc(C)cc1CCNC(=O)N[C@H](CCO)c1ccccc1
InChIInChI=1S/C20H26N2O3/c1-15-8-9-19(25-2)17(14-15)10-12-21-20(24)22-18(11-13-23)16-6-4-3-5-7-16/h3-9,14,18,23H,10-13H2,1-2H3,(H2,21,22,24)/t18-/m1/s1
InChIKeyAEGXANLPTYFLTR-GOSISDBHSA-N
MW342.44 g/mol
LogP2.97
Rot. Bonds8

About 1-[(1R)-3-hydroxy-1-phenylpropyl]-3-[2-(2-methoxy-5-methylphenyl)ethyl]urea

1-[(1R)-3-hydroxy-1-phenylpropyl]-3-[2-(2-methoxy-5-methylphenyl)ethyl]urea (PubChem CID 111454117) 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-[2-(2-methoxy-5-methylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-[(1R)-3-hydroxy-1-phenylpropyl]-3-[2-(2-methoxy-5-methylphenyl)ethyl]urea
PubChem CID111454117
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name1-[(1R)-3-hydroxy-1-phenylpropyl]-3-[2-(2-methoxy-5-methylphenyl)ethyl]urea
SMILESCOc1ccc(C)cc1CCNC(=O)N[C@H](CCO)c1ccccc1
InChIInChI=1S/C20H26N2O3/c1-15-8-9-19(25-2)17(14-15)10-12-21-20(24)22-18(11-13-23)16-6-4-3-5-7-16/h3-9,14,18,23H,10-13H2,1-2H3,(H2,21,22,24)/t18-/m1/s1
InChIKeyAEGXANLPTYFLTR-GOSISDBHSA-N
XLogP2.97
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 ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-methoxy-5-methylphenyl)ethyl]-3-pentan-2-ylurea
CID 42952673
2-amino-N-[2-(2-methoxy-5-methylphenyl)ethyl]-2-phenylacetamide;hydrochloride
CID 119273154
1-benzhydryl-3-[2-(2-methoxy-5-methylphenyl)ethyl]thiourea
CID 91394537
1-[(1R)-3-hydroxy-1-phenylpropyl]-3-[(3-methylphenyl)methyl]urea
CID 111454309
N-ethyl-3-(2-methoxy-5-methylphenyl)-1-phenylpropan-1-amine
CID 62159966
1-[(1R)-3-hydroxy-1-phenylpropyl]-3-[2-(6-methyl-3-pyridinyl)ethyl]urea
CID 111455444
2-(hydroxymethyl)-N-[2-(2-methoxy-5-methylphenyl)ethyl]butanamide
CID 115186689
1-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-3-[2-(2-methoxy-5-methylphenyl)ethyl]urea
CID 41405020
N-[2-[2-(2-methoxy-5-methylphenyl)ethylamino]-2-oxoethyl]benzamide
CID 41309387
(2R)-2-[2-(2-methoxyphenyl)ethylcarbamoylamino]propanoic acid
CID 113363047
2-(2-chlorophenyl)sulfanyl-N-[2-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 33105271
1-(4-hydroxy-2-phenylbutyl)-3-(2-methoxy-5-methylphenyl)urea
CID 111452697

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-3-hydroxy-1-phenylpropyl]-3-[2-(2-methoxy-5-methylphenyl)ethyl]urea?
The IUPAC name of 1-[(1R)-3-hydroxy-1-phenylpropyl]-3-[2-(2-methoxy-5-methylphenyl)ethyl]urea (CID 111454117) is 1-[(1R)-3-hydroxy-1-phenylpropyl]-3-[2-(2-methoxy-5-methylphenyl)ethyl]urea.
What is the SMILES notation for 1-[(1R)-3-hydroxy-1-phenylpropyl]-3-[2-(2-methoxy-5-methylphenyl)ethyl]urea?
The canonical SMILES for 1-[(1R)-3-hydroxy-1-phenylpropyl]-3-[2-(2-methoxy-5-methylphenyl)ethyl]urea is COc1ccc(C)cc1CCNC(=O)N[C@H](CCO)c1ccccc1.
What is the InChIKey of 1-[(1R)-3-hydroxy-1-phenylpropyl]-3-[2-(2-methoxy-5-methylphenyl)ethyl]urea?
The InChIKey is AEGXANLPTYFLTR-GOSISDBHSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-15-8-9-19(25-2)17(14-15)10-12-21-20(24)22-18(11-13-23)16-6-4-3-5-7-16/h3-9,14,18,23H,10-13H2,1-2H3,(H2,21,22,24)/t18-/m1/s1.
What are the key properties of 1-[(1R)-3-hydroxy-1-phenylpropyl]-3-[2-(2-methoxy-5-methylphenyl)ethyl]urea?
1-[(1R)-3-hydroxy-1-phenylpropyl]-3-[2-(2-methoxy-5-methylphenyl)ethyl]urea has a molecular weight of 342.44 g/mol, XLogP of 2.97, 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-[2-(2-methoxy-5-methylphenyl)ethyl]urea is sourced from PubChem (CID 111454117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).