3-(3-chloro-2-morpholin-4-ylphenyl)-1-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-1-methylurea

C17H26ClN3O4 — CID 71846151

IUPAC3-(3-chloro-2-morpholin-4-ylphenyl)-1-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-1-methylurea
SMILESCN(CC(C)(CO)CO)C(=O)Nc1cccc(Cl)c1N1CCOCC1
InChIInChI=1S/C17H26ClN3O4/c1-17(11-22,12-23)10-20(2)16(24)19-14-5-3-4-13(18)15(14)21-6-8-25-9-7-21/h3-5,22-23H,6-12H2,1-2H3,(H,19,24)
InChIKeyBIPDWZWCBWHNOS-UHFFFAOYSA-N
MW371.87 g/mol
LogP1.63
Rot. Bonds6

About 3-(3-chloro-2-morpholin-4-ylphenyl)-1-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-1-methylurea

3-(3-chloro-2-morpholin-4-ylphenyl)-1-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-1-methylurea (PubChem CID 71846151) has the molecular formula C17H26ClN3O4 and a molecular weight of 371.87 g/mol. Its IUPAC name is 3-(3-chloro-2-morpholin-4-ylphenyl)-1-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-1-methylurea.

Molecular Properties

Compound Name3-(3-chloro-2-morpholin-4-ylphenyl)-1-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-1-methylurea
PubChem CID71846151
Molecular FormulaC17H26ClN3O4
Molecular Weight371.87 g/mol
Exact Mass371.16
IUPAC Name3-(3-chloro-2-morpholin-4-ylphenyl)-1-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-1-methylurea
SMILESCN(CC(C)(CO)CO)C(=O)Nc1cccc(Cl)c1N1CCOCC1
InChIInChI=1S/C17H26ClN3O4/c1-17(11-22,12-23)10-20(2)16(24)19-14-5-3-4-13(18)15(14)21-6-8-25-9-7-21/h3-5,22-23H,6-12H2,1-2H3,(H,19,24)
InChIKeyBIPDWZWCBWHNOS-UHFFFAOYSA-N
XLogP1.63
TPSA85.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.87
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-2-morpholin-4-ylphenyl)-2-methyl-3-(methylamino)propanamide
CID 119840536
5-bromo-N-(3-chloro-2-morpholin-4-ylphenyl)furan-2-carboxamide
CID 1017993
N-(3-chloro-2-morpholin-4-ylphenyl)-3-(2,2-dimethylpropanoylamino)benzamide
CID 35192310
tert-butyl 4-[(3-chloro-2-morpholin-4-ylphenyl)carbamoyl]piperidine-1-carboxylate
CID 24614259
(2S)-N-(3-chloro-2-morpholin-4-ylphenyl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 38938290
3,4-dichloro-N-(3-chloro-2-morpholin-4-ylphenyl)benzamide
CID 3478748
3-[(4-chloro-3-fluoro-2-morpholin-4-ylphenyl)carbamoyl-methylamino]propanoic acid
CID 122092989
N-(3-chloro-2-morpholin-4-ylphenyl)-2-(2-methylphenyl)sulfanylacetamide
CID 41270501
N-(3-chloro-2-morpholin-4-ylphenyl)-2-fluorobenzamide
CID 952438
N-(3-chloro-2-morpholin-4-ylphenyl)-2-hydroxy-2-phenylacetamide
CID 111432211
2-chloro-N-(3-chloro-2-morpholin-4-ylphenyl)-5-iodobenzamide
CID 3968174
dimethyl (E)-2-(3-chloro-2-morpholin-4-ylanilino)but-2-enedioate
CID 168568994

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-2-morpholin-4-ylphenyl)-1-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-1-methylurea?
The IUPAC name of 3-(3-chloro-2-morpholin-4-ylphenyl)-1-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-1-methylurea (CID 71846151) is 3-(3-chloro-2-morpholin-4-ylphenyl)-1-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-1-methylurea.
What is the SMILES notation for 3-(3-chloro-2-morpholin-4-ylphenyl)-1-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-1-methylurea?
The canonical SMILES for 3-(3-chloro-2-morpholin-4-ylphenyl)-1-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-1-methylurea is CN(CC(C)(CO)CO)C(=O)Nc1cccc(Cl)c1N1CCOCC1.
What is the InChIKey of 3-(3-chloro-2-morpholin-4-ylphenyl)-1-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-1-methylurea?
The InChIKey is BIPDWZWCBWHNOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN3O4/c1-17(11-22,12-23)10-20(2)16(24)19-14-5-3-4-13(18)15(14)21-6-8-25-9-7-21/h3-5,22-23H,6-12H2,1-2H3,(H,19,24).
What are the key properties of 3-(3-chloro-2-morpholin-4-ylphenyl)-1-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-1-methylurea?
3-(3-chloro-2-morpholin-4-ylphenyl)-1-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-1-methylurea has a molecular weight of 371.87 g/mol, XLogP of 1.63, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-2-morpholin-4-ylphenyl)-1-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-1-methylurea is sourced from PubChem (CID 71846151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).