1-[(2R)-3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]phenyl]urea

C19H32N4O3 — CID 98800991

IUPAC1-[(2R)-3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]phenyl]urea
SMILESC[C@@H]1CN(c2ccccc2NC(=O)NC[C@@](C)(O)CN(C)C)C[C@@H](C)O1
InChIInChI=1S/C19H32N4O3/c1-14-10-23(11-15(2)26-14)17-9-7-6-8-16(17)21-18(24)20-12-19(3,25)13-22(4)5/h6-9,14-15,25H,10-13H2,1-5H3,(H2,20,21,24)/t14-,15-,19-/m1/s1
InChIKeyUNUFRAXFPLLOCL-SPYBWZPUSA-N
MW364.49 g/mol
LogP1.73
Rot. Bonds6

About 1-[(2R)-3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]phenyl]urea

1-[(2R)-3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]phenyl]urea (PubChem CID 98800991) has the molecular formula C19H32N4O3 and a molecular weight of 364.49 g/mol. Its IUPAC name is 1-[(2R)-3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]phenyl]urea.

Molecular Properties

Compound Name1-[(2R)-3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]phenyl]urea
PubChem CID98800991
Molecular FormulaC19H32N4O3
Molecular Weight364.49 g/mol
Exact Mass364.25
IUPAC Name1-[(2R)-3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]phenyl]urea
SMILESC[C@@H]1CN(c2ccccc2NC(=O)NC[C@@](C)(O)CN(C)C)C[C@@H](C)O1
InChIInChI=1S/C19H32N4O3/c1-14-10-23(11-15(2)26-14)17-9-7-6-8-16(17)21-18(24)20-12-19(3,25)13-22(4)5/h6-9,14-15,25H,10-13H2,1-5H3,(H2,20,21,24)/t14-,15-,19-/m1/s1
InChIKeyUNUFRAXFPLLOCL-SPYBWZPUSA-N
XLogP1.73
TPSA77.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-3-propylurea
CID 94154582
1-(cyclopropylmethyl)-3-[2-(2,6-dimethylmorpholin-4-yl)phenyl]urea
CID 51085659
1-[2-(2,6-dimethylmorpholin-4-yl)phenyl]-3-(3-methoxypropyl)urea
CID 51085655
1-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-3-(4-hydroxyphenyl)urea
CID 124618726
N'-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-N-[(2R)-2-hydroxypropyl]oxamide
CID 94444100
3-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-1-[(2-hydroxyphenyl)methyl]-1-methylurea
CID 94154697
N-[2-(2,6-dimethylmorpholin-4-yl)phenyl]-3,4,4-trimethylpentanamide
CID 86901306
1-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-3-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]urea
CID 98723402
1-[2-(2,6-dimethylmorpholin-4-yl)phenyl]-3-(3-ethyl-2-pyrrolidin-1-ylpentyl)urea
CID 51119015
N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-2-ethylsulfonylacetamide
CID 94469385
(E)-N-[2-(2,6-dimethylmorpholin-4-yl)phenyl]-3-phenylprop-2-enamide
CID 60533436
(2S)-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-2-methylmorpholine-4-carboxamide
CID 94154647

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]phenyl]urea?
The IUPAC name of 1-[(2R)-3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]phenyl]urea (CID 98800991) is 1-[(2R)-3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]phenyl]urea.
What is the SMILES notation for 1-[(2R)-3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]phenyl]urea?
The canonical SMILES for 1-[(2R)-3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]phenyl]urea is C[C@@H]1CN(c2ccccc2NC(=O)NC[C@@](C)(O)CN(C)C)C[C@@H](C)O1.
What is the InChIKey of 1-[(2R)-3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]phenyl]urea?
The InChIKey is UNUFRAXFPLLOCL-SPYBWZPUSA-N. The full InChI is InChI=1S/C19H32N4O3/c1-14-10-23(11-15(2)26-14)17-9-7-6-8-16(17)21-18(24)20-12-19(3,25)13-22(4)5/h6-9,14-15,25H,10-13H2,1-5H3,(H2,20,21,24)/t14-,15-,19-/m1/s1.
What are the key properties of 1-[(2R)-3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]phenyl]urea?
1-[(2R)-3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]phenyl]urea has a molecular weight of 364.49 g/mol, XLogP of 1.73, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]phenyl]urea is sourced from PubChem (CID 98800991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).