3-(3-acetylphenyl)-1-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]-1-methylurea

C17H25N3O4 — CID 95974569

IUPAC3-(3-acetylphenyl)-1-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]-1-methylurea
SMILESCC(=O)c1cccc(NC(=O)N(C)C[C@@H](O)CN2CCOCC2)c1
InChIInChI=1S/C17H25N3O4/c1-13(21)14-4-3-5-15(10-14)18-17(23)19(2)11-16(22)12-20-6-8-24-9-7-20/h3-5,10,16,22H,6-9,11-12H2,1-2H3,(H,18,23)/t16-/m1/s1
InChIKeyHCYMBHRHOAEMHV-MRXNPFEDSA-N
MW335.40 g/mol
LogP1.05
Rot. Bonds6

About 3-(3-acetylphenyl)-1-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]-1-methylurea

3-(3-acetylphenyl)-1-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]-1-methylurea (PubChem CID 95974569) has the molecular formula C17H25N3O4 and a molecular weight of 335.40 g/mol. Its IUPAC name is 3-(3-acetylphenyl)-1-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]-1-methylurea.

Molecular Properties

Compound Name3-(3-acetylphenyl)-1-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]-1-methylurea
PubChem CID95974569
Molecular FormulaC17H25N3O4
Molecular Weight335.40 g/mol
Exact Mass335.18
IUPAC Name3-(3-acetylphenyl)-1-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]-1-methylurea
SMILESCC(=O)c1cccc(NC(=O)N(C)C[C@@H](O)CN2CCOCC2)c1
InChIInChI=1S/C17H25N3O4/c1-13(21)14-4-3-5-15(10-14)18-17(23)19(2)11-16(22)12-20-6-8-24-9-7-20/h3-5,10,16,22H,6-9,11-12H2,1-2H3,(H,18,23)/t16-/m1/s1
InChIKeyHCYMBHRHOAEMHV-MRXNPFEDSA-N
XLogP1.05
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-acetylphenyl)-1-methyl-1-(2-methylpropyl)urea
CID 47364374
3-acetamido-N-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 110752365
3-(3-acetylphenyl)-1-[(2S)-2-hydroxy-3-phenylmethoxypropyl]-1-methylurea
CID 52511984
(2R)-N-(3-acetylphenyl)-2-morpholin-4-ylpropanamide
CID 8903956
3-(3,5-difluorophenyl)-1-[(2S)-2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-1-methylurea
CID 95636392
N-(2-hydroxy-3-morpholin-4-ylpropyl)-N,5-dimethylthiophene-2-carboxamide
CID 111912435
3-(3-acetylphenyl)-1-[[(2R)-1,4-dioxan-2-yl]methyl]-1-methylurea
CID 125176934
3-N-(3-acetylphenyl)-1-N-(2-morpholin-4-ylethyl)benzene-1,3-dicarboxamide
CID 109053343
N-(3-acetylphenyl)-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetamide
CID 8711319
N-(3-acetylphenyl)morpholine-4-carbothioamide
CID 19653714
(2S)-N-(3-acetylphenyl)-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]propanamide
CID 8711519
3-(3-acetylphenyl)-1-(2-bromoethyl)-1-methylurea
CID 106441584

Frequently Asked Questions

What is the IUPAC name of 3-(3-acetylphenyl)-1-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]-1-methylurea?
The IUPAC name of 3-(3-acetylphenyl)-1-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]-1-methylurea (CID 95974569) is 3-(3-acetylphenyl)-1-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]-1-methylurea.
What is the SMILES notation for 3-(3-acetylphenyl)-1-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]-1-methylurea?
The canonical SMILES for 3-(3-acetylphenyl)-1-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]-1-methylurea is CC(=O)c1cccc(NC(=O)N(C)C[C@@H](O)CN2CCOCC2)c1.
What is the InChIKey of 3-(3-acetylphenyl)-1-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]-1-methylurea?
The InChIKey is HCYMBHRHOAEMHV-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H25N3O4/c1-13(21)14-4-3-5-15(10-14)18-17(23)19(2)11-16(22)12-20-6-8-24-9-7-20/h3-5,10,16,22H,6-9,11-12H2,1-2H3,(H,18,23)/t16-/m1/s1.
What are the key properties of 3-(3-acetylphenyl)-1-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]-1-methylurea?
3-(3-acetylphenyl)-1-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]-1-methylurea has a molecular weight of 335.40 g/mol, XLogP of 1.05, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-acetylphenyl)-1-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]-1-methylurea is sourced from PubChem (CID 95974569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).