1-[(1R)-3-hydroxy-1-phenylpropyl]-3-[[2-(methoxymethyl)phenyl]methyl]urea

C19H24N2O3 — CID 111454388

IUPAC1-[(1R)-3-hydroxy-1-phenylpropyl]-3-[[2-(methoxymethyl)phenyl]methyl]urea
SMILESCOCc1ccccc1CNC(=O)N[C@H](CCO)c1ccccc1
InChIInChI=1S/C19H24N2O3/c1-24-14-17-10-6-5-9-16(17)13-20-19(23)21-18(11-12-22)15-7-3-2-4-8-15/h2-10,18,22H,11-14H2,1H3,(H2,20,21,23)/t18-/m1/s1
InChIKeyRMZZLZXWLKNETO-GOSISDBHSA-N
MW328.41 g/mol
LogP2.76
Rot. Bonds8

About 1-[(1R)-3-hydroxy-1-phenylpropyl]-3-[[2-(methoxymethyl)phenyl]methyl]urea

1-[(1R)-3-hydroxy-1-phenylpropyl]-3-[[2-(methoxymethyl)phenyl]methyl]urea (PubChem CID 111454388) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 1-[(1R)-3-hydroxy-1-phenylpropyl]-3-[[2-(methoxymethyl)phenyl]methyl]urea.

Molecular Properties

Compound Name1-[(1R)-3-hydroxy-1-phenylpropyl]-3-[[2-(methoxymethyl)phenyl]methyl]urea
PubChem CID111454388
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name1-[(1R)-3-hydroxy-1-phenylpropyl]-3-[[2-(methoxymethyl)phenyl]methyl]urea
SMILESCOCc1ccccc1CNC(=O)N[C@H](CCO)c1ccccc1
InChIInChI=1S/C19H24N2O3/c1-24-14-17-10-6-5-9-16(17)13-20-19(23)21-18(11-12-22)15-7-3-2-4-8-15/h2-10,18,22H,11-14H2,1H3,(H2,20,21,23)/t18-/m1/s1
InChIKeyRMZZLZXWLKNETO-GOSISDBHSA-N
XLogP2.76
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[2-(methoxymethyl)phenyl]methyl]-3-[(2S)-pentan-2-yl]urea
CID 33387256
1-[[2-(methoxymethyl)phenyl]methyl]-3-[phenyl(thiophen-2-yl)methyl]urea
CID 42954660
1-[[2-(hydroxymethyl)phenyl]methyl]-3-[[2-(methoxymethyl)phenyl]methyl]urea
CID 110924335
1-[(2,5-difluorophenyl)methyl]-3-[(1R)-3-hydroxy-1-phenylpropyl]urea
CID 111455268
2-amino-N-[[2-(methoxymethyl)phenyl]methyl]-2-phenylacetamide
CID 60924991
1-benzhydryl-3-[[2-(ethoxymethyl)phenyl]methyl]urea
CID 35629147
1-[(5-ethylthiophen-2-yl)methyl]-3-[(1R)-3-hydroxy-1-phenylpropyl]urea
CID 111454522
1-[(1R)-3-hydroxy-1-phenylpropyl]-3-[(3-methylphenyl)methyl]urea
CID 111454309
1-[(1R)-3-hydroxy-1-phenylpropyl]-3-(1,3-thiazol-4-ylmethyl)urea
CID 111454997
N-(3-hydroxy-1-phenylpropyl)-2-methoxy-2-phenylacetamide
CID 110025911
methyl 3-(2-chlorophenyl)-3-[[2-(methoxymethyl)phenyl]methylcarbamoylamino]propanoate
CID 134006769
1-(3-hydroxybutyl)-3-[[2-(methoxymethyl)phenyl]methyl]urea
CID 111337159

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-3-hydroxy-1-phenylpropyl]-3-[[2-(methoxymethyl)phenyl]methyl]urea?
The IUPAC name of 1-[(1R)-3-hydroxy-1-phenylpropyl]-3-[[2-(methoxymethyl)phenyl]methyl]urea (CID 111454388) is 1-[(1R)-3-hydroxy-1-phenylpropyl]-3-[[2-(methoxymethyl)phenyl]methyl]urea.
What is the SMILES notation for 1-[(1R)-3-hydroxy-1-phenylpropyl]-3-[[2-(methoxymethyl)phenyl]methyl]urea?
The canonical SMILES for 1-[(1R)-3-hydroxy-1-phenylpropyl]-3-[[2-(methoxymethyl)phenyl]methyl]urea is COCc1ccccc1CNC(=O)N[C@H](CCO)c1ccccc1.
What is the InChIKey of 1-[(1R)-3-hydroxy-1-phenylpropyl]-3-[[2-(methoxymethyl)phenyl]methyl]urea?
The InChIKey is RMZZLZXWLKNETO-GOSISDBHSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-24-14-17-10-6-5-9-16(17)13-20-19(23)21-18(11-12-22)15-7-3-2-4-8-15/h2-10,18,22H,11-14H2,1H3,(H2,20,21,23)/t18-/m1/s1.
What are the key properties of 1-[(1R)-3-hydroxy-1-phenylpropyl]-3-[[2-(methoxymethyl)phenyl]methyl]urea?
1-[(1R)-3-hydroxy-1-phenylpropyl]-3-[[2-(methoxymethyl)phenyl]methyl]urea has a molecular weight of 328.41 g/mol, XLogP of 2.76, 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-(methoxymethyl)phenyl]methyl]urea is sourced from PubChem (CID 111454388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).