2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-(methylcarbamoyl)acetamide

C9H19N3O4 — CID 62014588

IUPAC2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-(methylcarbamoyl)acetamide
SMILESCNC(=O)NC(=O)CN(C)CC(O)COC
InChIInChI=1S/C9H19N3O4/c1-10-9(15)11-8(14)5-12(2)4-7(13)6-16-3/h7,13H,4-6H2,1-3H3,(H2,10,11,14,15)
InChIKeyPLWHNIOCXYNPJF-UHFFFAOYSA-N
MW233.27 g/mol
LogP-1.62
Rot. Bonds6

About 2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-(methylcarbamoyl)acetamide

2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-(methylcarbamoyl)acetamide (PubChem CID 62014588) has the molecular formula C9H19N3O4 and a molecular weight of 233.27 g/mol. Its IUPAC name is 2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-(methylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-(methylcarbamoyl)acetamide
PubChem CID62014588
Molecular FormulaC9H19N3O4
Molecular Weight233.27 g/mol
Exact Mass233.14
IUPAC Name2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-(methylcarbamoyl)acetamide
SMILESCNC(=O)NC(=O)CN(C)CC(O)COC
InChIInChI=1S/C9H19N3O4/c1-10-9(15)11-8(14)5-12(2)4-7(13)6-16-3/h7,13H,4-6H2,1-3H3,(H2,10,11,14,15)
InChIKeyPLWHNIOCXYNPJF-UHFFFAOYSA-N
XLogP-1.62
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 5-1.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-ethoxy-2-hydroxypropyl)-N-[oxiran-2-ylmethyl(oxiran-2-ylmethylcarbamoyl)carbamoyl]acetamide
CID 139352309
N-[[2,3-dihydroxypropyl(methoxymethyl)amino]methyl]acetamide
CID 156682182
[3-[Acetyl-[1-(methylamino)ethyl]amino]-2-hydroxypropyl] propanoate
CID 164079693
N-(2,3-dihydroxypropyl)-2-[[1-(2,3-dihydroxypropylcarbamoylamino)-2-oxopropyl]-methylamino]acetamide
CID 170131067
3-(2,3-dihydroxypropylamino)-N-[2-(ethylcarbamoylamino)-2-oxoethyl]propanamide
CID 178622252
3-(3-Butoxy-2-hydroxypropyl)-5,5-dimethylimidazolidine-2,4-dione
CID 21238524
2-[ethyl(2-hydroxyethyl)amino]-N-(2-methoxyethylcarbamoyl)acetamide
CID 31994044
1-[2-Hydroxy-3-(propylamino)propyl]-3-methylimidazolidine-2,4,5-trione
CID 43166058
2-(2,5-dioxoimidazolidin-1-yl)-N-(2-hydroxypropyl)acetamide
CID 43392751
N-(2-hydroxypropyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 43419313
2-[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]-N-propylacetamide
CID 54938493
2-[[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]amino]-N-propylacetamide
CID 54938540

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-(methylcarbamoyl)acetamide?
The IUPAC name of 2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-(methylcarbamoyl)acetamide (CID 62014588) is 2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-(methylcarbamoyl)acetamide.
What is the SMILES notation for 2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-(methylcarbamoyl)acetamide?
The canonical SMILES for 2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-(methylcarbamoyl)acetamide is CNC(=O)NC(=O)CN(C)CC(O)COC.
What is the InChIKey of 2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-(methylcarbamoyl)acetamide?
The InChIKey is PLWHNIOCXYNPJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O4/c1-10-9(15)11-8(14)5-12(2)4-7(13)6-16-3/h7,13H,4-6H2,1-3H3,(H2,10,11,14,15).
What are the key properties of 2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-(methylcarbamoyl)acetamide?
2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-(methylcarbamoyl)acetamide has a molecular weight of 233.27 g/mol, XLogP of -1.62, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-(methylcarbamoyl)acetamide is sourced from PubChem (CID 62014588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).