3-[2-(3-hydroxyphenyl)ethyl]-1-methyl-1-[(1S)-1-pyridin-3-ylethyl]urea

C17H21N3O2 — CID 95762797

IUPAC3-[2-(3-hydroxyphenyl)ethyl]-1-methyl-1-[(1S)-1-pyridin-3-ylethyl]urea
SMILESC[C@@H](c1cccnc1)N(C)C(=O)NCCc1cccc(O)c1
InChIInChI=1S/C17H21N3O2/c1-13(15-6-4-9-18-12-15)20(2)17(22)19-10-8-14-5-3-7-16(21)11-14/h3-7,9,11-13,21H,8,10H2,1-2H3,(H,19,22)/t13-/m0/s1
InChIKeyGMIBEDGWWXMYMZ-ZDUSSCGKSA-N
MW299.37 g/mol
LogP2.73
Rot. Bonds5

About 3-[2-(3-hydroxyphenyl)ethyl]-1-methyl-1-[(1S)-1-pyridin-3-ylethyl]urea

3-[2-(3-hydroxyphenyl)ethyl]-1-methyl-1-[(1S)-1-pyridin-3-ylethyl]urea (PubChem CID 95762797) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 3-[2-(3-hydroxyphenyl)ethyl]-1-methyl-1-[(1S)-1-pyridin-3-ylethyl]urea.

Molecular Properties

Compound Name3-[2-(3-hydroxyphenyl)ethyl]-1-methyl-1-[(1S)-1-pyridin-3-ylethyl]urea
PubChem CID95762797
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name3-[2-(3-hydroxyphenyl)ethyl]-1-methyl-1-[(1S)-1-pyridin-3-ylethyl]urea
SMILESC[C@@H](c1cccnc1)N(C)C(=O)NCCc1cccc(O)c1
InChIInChI=1S/C17H21N3O2/c1-13(15-6-4-9-18-12-15)20(2)17(22)19-10-8-14-5-3-7-16(21)11-14/h3-7,9,11-13,21H,8,10H2,1-2H3,(H,19,22)/t13-/m0/s1
InChIKeyGMIBEDGWWXMYMZ-ZDUSSCGKSA-N
XLogP2.73
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(3-fluorophenyl)propyl]-1-methyl-1-[(1S)-1-pyridin-3-ylethyl]urea
CID 95264423
1-methyl-1-(1-pyridin-3-ylpropyl)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]urea
CID 119059626
1-methyl-3-[2-(1-phenylpyrazol-3-yl)ethyl]-1-[(1R)-1-pyridin-3-ylethyl]urea
CID 95316390
3-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-1-methyl-1-[(1S)-1-pyridin-3-ylethyl]urea
CID 97089202
3-[2,6-di(propan-2-yl)phenyl]-1-methyl-1-[(1S)-1-pyridin-3-ylethyl]urea
CID 95239166
1,1-dimethyl-3-(2-pyridin-3-ylethyl)urea
CID 110872248
2-(3-bromophenyl)-N-methyl-N-[(1R)-1-pyridin-3-ylethyl]acetamide
CID 95690418
1-methyl-3-[3-(pyridin-3-ylamino)propyl]-1-(1-pyridin-4-ylethyl)urea
CID 122569143
1-methyl-3-[(6-propoxy-3-pyridinyl)methyl]-1-(1-pyridin-3-ylethyl)urea
CID 56783571
tri(propan-2-yl)silyl N-[2-(3-hydroxyphenyl)ethyl]carbamate
CID 10640703
N-[3-(3-hydroxyphenyl)propyl]pyridine-3-carboxamide
CID 84509269
3-[[4-fluoro-2-(methylsulfanylmethyl)phenyl]methyl]-1-methyl-1-(1-pyridin-3-ylethyl)urea
CID 71972562

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-hydroxyphenyl)ethyl]-1-methyl-1-[(1S)-1-pyridin-3-ylethyl]urea?
The IUPAC name of 3-[2-(3-hydroxyphenyl)ethyl]-1-methyl-1-[(1S)-1-pyridin-3-ylethyl]urea (CID 95762797) is 3-[2-(3-hydroxyphenyl)ethyl]-1-methyl-1-[(1S)-1-pyridin-3-ylethyl]urea.
What is the SMILES notation for 3-[2-(3-hydroxyphenyl)ethyl]-1-methyl-1-[(1S)-1-pyridin-3-ylethyl]urea?
The canonical SMILES for 3-[2-(3-hydroxyphenyl)ethyl]-1-methyl-1-[(1S)-1-pyridin-3-ylethyl]urea is C[C@@H](c1cccnc1)N(C)C(=O)NCCc1cccc(O)c1.
What is the InChIKey of 3-[2-(3-hydroxyphenyl)ethyl]-1-methyl-1-[(1S)-1-pyridin-3-ylethyl]urea?
The InChIKey is GMIBEDGWWXMYMZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-13(15-6-4-9-18-12-15)20(2)17(22)19-10-8-14-5-3-7-16(21)11-14/h3-7,9,11-13,21H,8,10H2,1-2H3,(H,19,22)/t13-/m0/s1.
What are the key properties of 3-[2-(3-hydroxyphenyl)ethyl]-1-methyl-1-[(1S)-1-pyridin-3-ylethyl]urea?
3-[2-(3-hydroxyphenyl)ethyl]-1-methyl-1-[(1S)-1-pyridin-3-ylethyl]urea has a molecular weight of 299.37 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-hydroxyphenyl)ethyl]-1-methyl-1-[(1S)-1-pyridin-3-ylethyl]urea is sourced from PubChem (CID 95762797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).