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

C11H23N3O5 — CID 62014958

IUPAC2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-(2-methoxyethylcarbamoyl)acetamide
SMILESCOCCNC(=O)NC(=O)CN(C)CC(O)COC
InChIInChI=1S/C11H23N3O5/c1-14(6-9(15)8-19-3)7-10(16)13-11(17)12-4-5-18-2/h9,15H,4-8H2,1-3H3,(H2,12,13,16,17)
InChIKeyZJWSZYLDCQMFQS-UHFFFAOYSA-N
MW277.32 g/mol
LogP-1.60
Rot. Bonds9

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

2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-(2-methoxyethylcarbamoyl)acetamide (PubChem CID 62014958) has the molecular formula C11H23N3O5 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-(2-methoxyethylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-(2-methoxyethylcarbamoyl)acetamide
PubChem CID62014958
Molecular FormulaC11H23N3O5
Molecular Weight277.32 g/mol
Exact Mass277.16
IUPAC Name2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-(2-methoxyethylcarbamoyl)acetamide
SMILESCOCCNC(=O)NC(=O)CN(C)CC(O)COC
InChIInChI=1S/C11H23N3O5/c1-14(6-9(15)8-19-3)7-10(16)13-11(17)12-4-5-18-2/h9,15H,4-8H2,1-3H3,(H2,12,13,16,17)
InChIKeyZJWSZYLDCQMFQS-UHFFFAOYSA-N
XLogP-1.60
TPSA100.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 5-1.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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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)-2-[[1-(2,3-dihydroxypropylcarbamoylamino)-2-oxopropyl]-methylamino]acetamide
CID 170131067
3-(2,3-dihydroxypropylamino)-N-[2-(ethylcarbamoylamino)-2-oxoethyl]propanamide
CID 178622252
2-(4-hydroxypiperidin-1-yl)-N-(2-methoxyethylcarbamoyl)acetamide
CID 27070018
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-[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]-N-propylacetamide
CID 54938493
2-[[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]amino]-N-propylacetamide
CID 54938540
2-[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]-N-ethylacetamide
CID 54938680
N-ethyl-2-[[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]amino]acetamide
CID 54938822
N-(2-hydroxy-3-methoxypropyl)-N-methyl-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 54993780
2-(2,5-dioxoimidazolidin-1-yl)-N-(2-hydroxy-3-methoxypropyl)-N-methylacetamide
CID 54993821

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-(2-methoxyethylcarbamoyl)acetamide?
The IUPAC name of 2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-(2-methoxyethylcarbamoyl)acetamide (CID 62014958) is 2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-(2-methoxyethylcarbamoyl)acetamide.
What is the SMILES notation for 2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-(2-methoxyethylcarbamoyl)acetamide?
The canonical SMILES for 2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-(2-methoxyethylcarbamoyl)acetamide is COCCNC(=O)NC(=O)CN(C)CC(O)COC.
What is the InChIKey of 2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-(2-methoxyethylcarbamoyl)acetamide?
The InChIKey is ZJWSZYLDCQMFQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O5/c1-14(6-9(15)8-19-3)7-10(16)13-11(17)12-4-5-18-2/h9,15H,4-8H2,1-3H3,(H2,12,13,16,17).
What are the key properties of 2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-(2-methoxyethylcarbamoyl)acetamide?
2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-(2-methoxyethylcarbamoyl)acetamide has a molecular weight of 277.32 g/mol, XLogP of -1.60, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-(2-methoxyethylcarbamoyl)acetamide is sourced from PubChem (CID 62014958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).