[1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-4-methyl-1-oxopentan-2-yl]urea

C14H27N3O4 — CID 114779000

IUPAC[1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-4-methyl-1-oxopentan-2-yl]urea
SMILESCC(C)CC(NC(N)=O)C(=O)N1CC(CO)OC(C)(C)C1
InChIInChI=1S/C14H27N3O4/c1-9(2)5-11(16-13(15)20)12(19)17-6-10(7-18)21-14(3,4)8-17/h9-11,18H,5-8H2,1-4H3,(H3,15,16,20)
InChIKeyVFVUAJMXLQSFBA-UHFFFAOYSA-N
MW301.39 g/mol
LogP0.07
Rot. Bonds5

About [1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-4-methyl-1-oxopentan-2-yl]urea

[1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-4-methyl-1-oxopentan-2-yl]urea (PubChem CID 114779000) has the molecular formula C14H27N3O4 and a molecular weight of 301.39 g/mol. Its IUPAC name is [1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-4-methyl-1-oxopentan-2-yl]urea.

Molecular Properties

Compound Name[1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-4-methyl-1-oxopentan-2-yl]urea
PubChem CID114779000
Molecular FormulaC14H27N3O4
Molecular Weight301.39 g/mol
Exact Mass301.20
IUPAC Name[1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-4-methyl-1-oxopentan-2-yl]urea
SMILESCC(C)CC(NC(N)=O)C(=O)N1CC(CO)OC(C)(C)C1
InChIInChI=1S/C14H27N3O4/c1-9(2)5-11(16-13(15)20)12(19)17-6-10(7-18)21-14(3,4)8-17/h9-11,18H,5-8H2,1-4H3,(H3,15,16,20)
InChIKeyVFVUAJMXLQSFBA-UHFFFAOYSA-N
XLogP0.07
TPSA104.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 50.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze [1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-4-methyl-1-oxopentan-2-yl]urea with MolForge

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Related Compounds

(2S)-2-amino-1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-3-methylpentan-1-one
CID 104969811
N'-hydroxy-2-[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]-3-methylbutanimidamide
CID 104969920
4-[[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]amino]-2-methylbutanoic acid
CID 114777599
(2R)-4-hydroxy-2-[[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]amino]butanoic acid
CID 107829358
6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbothioamide
CID 114776562
2-[3-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-3-oxopropyl]sulfanylacetamide
CID 114778946
[1-[4-(1-hydroxyethyl)piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]urea
CID 106837135
[1-(3-hydroxypyrrolidin-1-yl)-4-methyl-1-oxopentan-2-yl]urea
CID 62918442
3-amino-1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-4,4-dimethylpentan-1-one
CID 114776669
(2S)-2-amino-1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-phenylethanone
CID 104969794
[4-methyl-1-(4-methylpiperazin-1-yl)-1-oxopentan-2-yl]urea
CID 60634818
2-(3-aminophenyl)-1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]propan-1-one
CID 106591897

Frequently Asked Questions

What is the IUPAC name of [1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-4-methyl-1-oxopentan-2-yl]urea?
The IUPAC name of [1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-4-methyl-1-oxopentan-2-yl]urea (CID 114779000) is [1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-4-methyl-1-oxopentan-2-yl]urea.
What is the SMILES notation for [1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-4-methyl-1-oxopentan-2-yl]urea?
The canonical SMILES for [1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-4-methyl-1-oxopentan-2-yl]urea is CC(C)CC(NC(N)=O)C(=O)N1CC(CO)OC(C)(C)C1.
What is the InChIKey of [1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-4-methyl-1-oxopentan-2-yl]urea?
The InChIKey is VFVUAJMXLQSFBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O4/c1-9(2)5-11(16-13(15)20)12(19)17-6-10(7-18)21-14(3,4)8-17/h9-11,18H,5-8H2,1-4H3,(H3,15,16,20).
What are the key properties of [1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-4-methyl-1-oxopentan-2-yl]urea?
[1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-4-methyl-1-oxopentan-2-yl]urea has a molecular weight of 301.39 g/mol, XLogP of 0.07, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-4-methyl-1-oxopentan-2-yl]urea is sourced from PubChem (CID 114779000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).