1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-3-[(2-methoxyphenyl)methyl]urea

C19H31N3O3 — CID 38202597

IUPAC1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-3-[(2-methoxyphenyl)methyl]urea
SMILESCOc1ccccc1CNC(=O)NCC(C)(C)N1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C19H31N3O3/c1-14-11-22(12-15(2)25-14)19(3,4)13-21-18(23)20-10-16-8-6-7-9-17(16)24-5/h6-9,14-15H,10-13H2,1-5H3,(H2,20,21,23)/t14-,15+
InChIKeyHZJNVFPHEUXFNO-GASCZTMLSA-N
MW349.48 g/mol
LogP2.38
Rot. Bonds6

About 1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-3-[(2-methoxyphenyl)methyl]urea

1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-3-[(2-methoxyphenyl)methyl]urea (PubChem CID 38202597) has the molecular formula C19H31N3O3 and a molecular weight of 349.48 g/mol. Its IUPAC name is 1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-3-[(2-methoxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-3-[(2-methoxyphenyl)methyl]urea
PubChem CID38202597
Molecular FormulaC19H31N3O3
Molecular Weight349.48 g/mol
Exact Mass349.24
IUPAC Name1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-3-[(2-methoxyphenyl)methyl]urea
SMILESCOc1ccccc1CNC(=O)NCC(C)(C)N1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C19H31N3O3/c1-14-11-22(12-15(2)25-14)19(3,4)13-21-18(23)20-10-16-8-6-7-9-17(16)24-5/h6-9,14-15H,10-13H2,1-5H3,(H2,20,21,23)/t14-,15+
InChIKeyHZJNVFPHEUXFNO-GASCZTMLSA-N
XLogP2.38
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-3-[(2-methoxyphenyl)methyl]urea with MolForge

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Related Compounds

1-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-[(2-methoxyphenyl)methyl]urea
CID 42934547
N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-2-(2-methoxyphenyl)acetamide
CID 29295157
N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-2-(2-methoxyphenoxy)acetamide
CID 51931304
1-[2-(2-methoxyphenyl)ethyl]-3-(2-methyl-2-pyrrolidin-1-ylpropyl)urea
CID 110622524
1-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-3-[(1-phenylpyrazol-4-yl)methyl]urea
CID 51929909
N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-2-(2-nitrophenyl)acetamide
CID 24646123
1-ethyl-3-[(2-methoxyphenyl)methyl]urea
CID 38151032
1-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-3-[2-(4-fluorophenyl)ethyl]urea
CID 51654985
2-(difluoromethoxy)-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]benzamide
CID 29303216
N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-2-phenoxyacetamide
CID 29298053
(2S,6S)-4-[(2-methoxyphenyl)methyl]-2,6-dimethylmorpholine
CID 6937591
1-(2-hydroxy-3,3-dimethylbutyl)-3-[(2-methoxyphenyl)methyl]urea
CID 111119483

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-3-[(2-methoxyphenyl)methyl]urea?
The IUPAC name of 1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-3-[(2-methoxyphenyl)methyl]urea (CID 38202597) is 1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-3-[(2-methoxyphenyl)methyl]urea.
What is the SMILES notation for 1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-3-[(2-methoxyphenyl)methyl]urea?
The canonical SMILES for 1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-3-[(2-methoxyphenyl)methyl]urea is COc1ccccc1CNC(=O)NCC(C)(C)N1C[C@@H](C)O[C@@H](C)C1.
What is the InChIKey of 1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-3-[(2-methoxyphenyl)methyl]urea?
The InChIKey is HZJNVFPHEUXFNO-GASCZTMLSA-N. The full InChI is InChI=1S/C19H31N3O3/c1-14-11-22(12-15(2)25-14)19(3,4)13-21-18(23)20-10-16-8-6-7-9-17(16)24-5/h6-9,14-15H,10-13H2,1-5H3,(H2,20,21,23)/t14-,15+.
What are the key properties of 1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-3-[(2-methoxyphenyl)methyl]urea?
1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-3-[(2-methoxyphenyl)methyl]urea has a molecular weight of 349.48 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-3-[(2-methoxyphenyl)methyl]urea is sourced from PubChem (CID 38202597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).