1-[(2S)-2-hydroxy-3-(3-methoxyphenoxy)propyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea

C20H33N3O4 — CID 126454365

IUPAC1-[(2S)-2-hydroxy-3-(3-methoxyphenoxy)propyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
SMILESCOc1cccc(OC[C@@H](O)CNC(=O)NC2CC(C)(C)NC(C)(C)C2)c1
InChIInChI=1S/C20H33N3O4/c1-19(2)10-14(11-20(3,4)23-19)22-18(25)21-12-15(24)13-27-17-8-6-7-16(9-17)26-5/h6-9,14-15,23-24H,10-13H2,1-5H3,(H2,21,22,25)/t15-/m0/s1
InChIKeyJEKXOJFLALAKQE-HNNXBMFYSA-N
MW379.50 g/mol
LogP2.04
Rot. Bonds7

About 1-[(2S)-2-hydroxy-3-(3-methoxyphenoxy)propyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea

1-[(2S)-2-hydroxy-3-(3-methoxyphenoxy)propyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea (PubChem CID 126454365) has the molecular formula C20H33N3O4 and a molecular weight of 379.50 g/mol. Its IUPAC name is 1-[(2S)-2-hydroxy-3-(3-methoxyphenoxy)propyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea.

Molecular Properties

Compound Name1-[(2S)-2-hydroxy-3-(3-methoxyphenoxy)propyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
PubChem CID126454365
Molecular FormulaC20H33N3O4
Molecular Weight379.50 g/mol
Exact Mass379.25
IUPAC Name1-[(2S)-2-hydroxy-3-(3-methoxyphenoxy)propyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
SMILESCOc1cccc(OC[C@@H](O)CNC(=O)NC2CC(C)(C)NC(C)(C)C2)c1
InChIInChI=1S/C20H33N3O4/c1-19(2)10-14(11-20(3,4)23-19)22-18(25)21-12-15(24)13-27-17-8-6-7-16(9-17)26-5/h6-9,14-15,23-24H,10-13H2,1-5H3,(H2,21,22,25)/t15-/m0/s1
InChIKeyJEKXOJFLALAKQE-HNNXBMFYSA-N
XLogP2.04
TPSA91.85 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 52.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 1-[(2S)-2-hydroxy-3-(3-methoxyphenoxy)propyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea with MolForge

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Related Compounds

1-cyclohexyl-3-[(2S)-2-hydroxy-3-(3-methoxyphenoxy)propyl]urea
CID 126437318
1-(phenoxymethyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
CID 108888896
1-[2-(4-methoxyphenyl)ethyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
CID 33425141
1-(1-adamantylamino)-3-(3-methoxyphenoxy)propan-2-ol
CID 132585829
1-[(3,4-dimethoxyphenyl)methyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
CID 38205613
1-(2-hydroxy-3-methylpentyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
CID 111337745
2-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]-2-methylpropanamide
CID 61219801
1-[(4-ethoxyphenoxy)methyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
CID 108890764
1-benzyl-3-[2-hydroxy-3-(3-methylphenoxy)propyl]urea
CID 110904579
2-(4-methoxyphenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
CID 748750
1-[3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]-3-cyclohexylurea
CID 119060836
1-(2,2-difluoroethylamino)-3-(3-methoxyphenoxy)propan-2-ol
CID 115406734

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-hydroxy-3-(3-methoxyphenoxy)propyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea?
The IUPAC name of 1-[(2S)-2-hydroxy-3-(3-methoxyphenoxy)propyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea (CID 126454365) is 1-[(2S)-2-hydroxy-3-(3-methoxyphenoxy)propyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea.
What is the SMILES notation for 1-[(2S)-2-hydroxy-3-(3-methoxyphenoxy)propyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea?
The canonical SMILES for 1-[(2S)-2-hydroxy-3-(3-methoxyphenoxy)propyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea is COc1cccc(OC[C@@H](O)CNC(=O)NC2CC(C)(C)NC(C)(C)C2)c1.
What is the InChIKey of 1-[(2S)-2-hydroxy-3-(3-methoxyphenoxy)propyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea?
The InChIKey is JEKXOJFLALAKQE-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H33N3O4/c1-19(2)10-14(11-20(3,4)23-19)22-18(25)21-12-15(24)13-27-17-8-6-7-16(9-17)26-5/h6-9,14-15,23-24H,10-13H2,1-5H3,(H2,21,22,25)/t15-/m0/s1.
What are the key properties of 1-[(2S)-2-hydroxy-3-(3-methoxyphenoxy)propyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea?
1-[(2S)-2-hydroxy-3-(3-methoxyphenoxy)propyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea has a molecular weight of 379.50 g/mol, XLogP of 2.04, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-hydroxy-3-(3-methoxyphenoxy)propyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea is sourced from PubChem (CID 126454365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).