3-(3-acetylphenyl)-1-[(2S)-2-hydroxy-3-phenylmethoxypropyl]-1-methylurea

C20H24N2O4 — CID 52511984

IUPAC3-(3-acetylphenyl)-1-[(2S)-2-hydroxy-3-phenylmethoxypropyl]-1-methylurea
SMILESCC(=O)c1cccc(NC(=O)N(C)C[C@H](O)COCc2ccccc2)c1
InChIInChI=1S/C20H24N2O4/c1-15(23)17-9-6-10-18(11-17)21-20(25)22(2)12-19(24)14-26-13-16-7-4-3-5-8-16/h3-11,19,24H,12-14H2,1-2H3,(H,21,25)/t19-/m0/s1
InChIKeyHELNSEZQZDDISI-IBGZPJMESA-N
MW356.42 g/mol
LogP2.93
Rot. Bonds8

About 3-(3-acetylphenyl)-1-[(2S)-2-hydroxy-3-phenylmethoxypropyl]-1-methylurea

3-(3-acetylphenyl)-1-[(2S)-2-hydroxy-3-phenylmethoxypropyl]-1-methylurea (PubChem CID 52511984) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is 3-(3-acetylphenyl)-1-[(2S)-2-hydroxy-3-phenylmethoxypropyl]-1-methylurea.

Molecular Properties

Compound Name3-(3-acetylphenyl)-1-[(2S)-2-hydroxy-3-phenylmethoxypropyl]-1-methylurea
PubChem CID52511984
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name3-(3-acetylphenyl)-1-[(2S)-2-hydroxy-3-phenylmethoxypropyl]-1-methylurea
SMILESCC(=O)c1cccc(NC(=O)N(C)C[C@H](O)COCc2ccccc2)c1
InChIInChI=1S/C20H24N2O4/c1-15(23)17-9-6-10-18(11-17)21-20(25)22(2)12-19(24)14-26-13-16-7-4-3-5-8-16/h3-11,19,24H,12-14H2,1-2H3,(H,21,25)/t19-/m0/s1
InChIKeyHELNSEZQZDDISI-IBGZPJMESA-N
XLogP2.93
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[[[(2S)-2-hydroxy-3-phenylmethoxypropyl]-methylamino]methyl]phenyl]acetamide
CID 96547844
3-(2-chlorophenyl)-1-(2-hydroxy-3-phenylmethoxypropyl)-1-methylurea
CID 47079416
3-(3-acetylphenyl)-1-methyl-1-(2-methylpropyl)urea
CID 47364374
3-(1-ethylpyrazol-4-yl)-1-(2-hydroxy-3-phenylmethoxypropyl)-1-methylurea
CID 47079454
3-(3-acetylphenyl)-1-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]-1-methylurea
CID 95974569
6-[(2-hydroxy-3-phenylmethoxypropyl)-methylcarbamoyl]pyridine-2-carboxylic acid
CID 119182403
3-(3-acetylphenyl)-1-methyl-1-pentylurea
CID 61347402
3-(3-acetylphenyl)-1-(2-bromoethyl)-1-methylurea
CID 106441584
N-(2-hydroxy-3-phenylmethoxypropyl)-N-methyl-1-oxidopyridin-1-ium-3-carboxamide
CID 111595977
3-(3-acetylphenyl)-1-methyl-1-(pyridin-2-ylmethyl)urea
CID 61346260
N-(2-hydroxy-3-phenylmethoxypropyl)-N,2,5-trimethylfuran-3-carboxamide
CID 111595929
methyl 4-[(2-hydroxy-3-phenylmethoxypropyl)-methylamino]benzoate
CID 3810253

Frequently Asked Questions

What is the IUPAC name of 3-(3-acetylphenyl)-1-[(2S)-2-hydroxy-3-phenylmethoxypropyl]-1-methylurea?
The IUPAC name of 3-(3-acetylphenyl)-1-[(2S)-2-hydroxy-3-phenylmethoxypropyl]-1-methylurea (CID 52511984) is 3-(3-acetylphenyl)-1-[(2S)-2-hydroxy-3-phenylmethoxypropyl]-1-methylurea.
What is the SMILES notation for 3-(3-acetylphenyl)-1-[(2S)-2-hydroxy-3-phenylmethoxypropyl]-1-methylurea?
The canonical SMILES for 3-(3-acetylphenyl)-1-[(2S)-2-hydroxy-3-phenylmethoxypropyl]-1-methylurea is CC(=O)c1cccc(NC(=O)N(C)C[C@H](O)COCc2ccccc2)c1.
What is the InChIKey of 3-(3-acetylphenyl)-1-[(2S)-2-hydroxy-3-phenylmethoxypropyl]-1-methylurea?
The InChIKey is HELNSEZQZDDISI-IBGZPJMESA-N. The full InChI is InChI=1S/C20H24N2O4/c1-15(23)17-9-6-10-18(11-17)21-20(25)22(2)12-19(24)14-26-13-16-7-4-3-5-8-16/h3-11,19,24H,12-14H2,1-2H3,(H,21,25)/t19-/m0/s1.
What are the key properties of 3-(3-acetylphenyl)-1-[(2S)-2-hydroxy-3-phenylmethoxypropyl]-1-methylurea?
3-(3-acetylphenyl)-1-[(2S)-2-hydroxy-3-phenylmethoxypropyl]-1-methylurea has a molecular weight of 356.42 g/mol, XLogP of 2.93, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-acetylphenyl)-1-[(2S)-2-hydroxy-3-phenylmethoxypropyl]-1-methylurea is sourced from PubChem (CID 52511984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).