2-[[3-hydroxy-2-(hydroxymethyl)propyl]-methylamino]-N-(propylcarbamoyl)acetamide

C11H23N3O4 — CID 146142232

IUPAC2-[[3-hydroxy-2-(hydroxymethyl)propyl]-methylamino]-N-(propylcarbamoyl)acetamide
SMILESCCCNC(=O)NC(=O)CN(C)CC(CO)CO
InChIInChI=1S/C11H23N3O4/c1-3-4-12-11(18)13-10(17)6-14(2)5-9(7-15)8-16/h9,15-16H,3-8H2,1-2H3,(H2,12,13,17,18)
InChIKeyUWEPHOKJWHZGNZ-UHFFFAOYSA-N
MW261.32 g/mol
LogP-1.25
Rot. Bonds8

About 2-[[3-hydroxy-2-(hydroxymethyl)propyl]-methylamino]-N-(propylcarbamoyl)acetamide

2-[[3-hydroxy-2-(hydroxymethyl)propyl]-methylamino]-N-(propylcarbamoyl)acetamide (PubChem CID 146142232) has the molecular formula C11H23N3O4 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-[[3-hydroxy-2-(hydroxymethyl)propyl]-methylamino]-N-(propylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[[3-hydroxy-2-(hydroxymethyl)propyl]-methylamino]-N-(propylcarbamoyl)acetamide
PubChem CID146142232
Molecular FormulaC11H23N3O4
Molecular Weight261.32 g/mol
Exact Mass261.17
IUPAC Name2-[[3-hydroxy-2-(hydroxymethyl)propyl]-methylamino]-N-(propylcarbamoyl)acetamide
SMILESCCCNC(=O)NC(=O)CN(C)CC(CO)CO
InChIInChI=1S/C11H23N3O4/c1-3-4-12-11(18)13-10(17)6-14(2)5-9(7-15)8-16/h9,15-16H,3-8H2,1-2H3,(H2,12,13,17,18)
InChIKeyUWEPHOKJWHZGNZ-UHFFFAOYSA-N
XLogP-1.25
TPSA101.90 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 5-1.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-(butylcarbamoyl)-2-[2-hydroxypropyl(methyl)amino]acetamide
CID 62334696
2-[2-aminoethyl(methyl)amino]-N-(propylcarbamoyl)acetamide
CID 62688633
2-[bis(2-hydroxyethyl)amino]-N-(propylcarbamoyl)acetamide
CID 60686309
2-[(4-fluorophenyl)methyl-methylamino]-N-(propylcarbamoyl)acetamide
CID 9251739
N-(propylcarbamoyl)butanamide
CID 12936931
2-[2,2-dimethoxyethyl(methyl)amino]-N-propylacetamide
CID 66221480
2-[cyclohexyl(methyl)amino]-N-(propylcarbamoyl)acetamide
CID 40706145
2-[5-hydroxypentyl(methyl)amino]-N-(3-methylbutylcarbamoyl)acetamide
CID 107204289
2-[2,2-diethoxyethyl(methyl)amino]-N-propylacetamide
CID 63619039
2-bromo-N-(propylcarbamoyl)acetamide
CID 81223054
4,4,4-trifluoro-3-[methyl-[2-oxo-2-(propylcarbamoylamino)ethyl]amino]butanamide
CID 167820790
2-[acetyl(propan-2-yl)amino]-N-propylacetamide
CID 113158097

Frequently Asked Questions

What is the IUPAC name of 2-[[3-hydroxy-2-(hydroxymethyl)propyl]-methylamino]-N-(propylcarbamoyl)acetamide?
The IUPAC name of 2-[[3-hydroxy-2-(hydroxymethyl)propyl]-methylamino]-N-(propylcarbamoyl)acetamide (CID 146142232) is 2-[[3-hydroxy-2-(hydroxymethyl)propyl]-methylamino]-N-(propylcarbamoyl)acetamide.
What is the SMILES notation for 2-[[3-hydroxy-2-(hydroxymethyl)propyl]-methylamino]-N-(propylcarbamoyl)acetamide?
The canonical SMILES for 2-[[3-hydroxy-2-(hydroxymethyl)propyl]-methylamino]-N-(propylcarbamoyl)acetamide is CCCNC(=O)NC(=O)CN(C)CC(CO)CO.
What is the InChIKey of 2-[[3-hydroxy-2-(hydroxymethyl)propyl]-methylamino]-N-(propylcarbamoyl)acetamide?
The InChIKey is UWEPHOKJWHZGNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O4/c1-3-4-12-11(18)13-10(17)6-14(2)5-9(7-15)8-16/h9,15-16H,3-8H2,1-2H3,(H2,12,13,17,18).
What are the key properties of 2-[[3-hydroxy-2-(hydroxymethyl)propyl]-methylamino]-N-(propylcarbamoyl)acetamide?
2-[[3-hydroxy-2-(hydroxymethyl)propyl]-methylamino]-N-(propylcarbamoyl)acetamide has a molecular weight of 261.32 g/mol, XLogP of -1.25, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-hydroxy-2-(hydroxymethyl)propyl]-methylamino]-N-(propylcarbamoyl)acetamide is sourced from PubChem (CID 146142232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).