3-[2-(2-hydroxyethoxy)ethyl-methylamino]-N-(methylcarbamoyl)propanamide

C10H21N3O4 — CID 114243567

IUPAC3-[2-(2-hydroxyethoxy)ethyl-methylamino]-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)CCN(C)CCOCCO
InChIInChI=1S/C10H21N3O4/c1-11-10(16)12-9(15)3-4-13(2)5-7-17-8-6-14/h14H,3-8H2,1-2H3,(H2,11,12,15,16)
InChIKeyOUTHLDIBWXYHCF-UHFFFAOYSA-N
MW247.29 g/mol
LogP-1.23
Rot. Bonds8

About 3-[2-(2-hydroxyethoxy)ethyl-methylamino]-N-(methylcarbamoyl)propanamide

3-[2-(2-hydroxyethoxy)ethyl-methylamino]-N-(methylcarbamoyl)propanamide (PubChem CID 114243567) has the molecular formula C10H21N3O4 and a molecular weight of 247.29 g/mol. Its IUPAC name is 3-[2-(2-hydroxyethoxy)ethyl-methylamino]-N-(methylcarbamoyl)propanamide.

Molecular Properties

Compound Name3-[2-(2-hydroxyethoxy)ethyl-methylamino]-N-(methylcarbamoyl)propanamide
PubChem CID114243567
Molecular FormulaC10H21N3O4
Molecular Weight247.29 g/mol
Exact Mass247.15
IUPAC Name3-[2-(2-hydroxyethoxy)ethyl-methylamino]-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)CCN(C)CCOCCO
InChIInChI=1S/C10H21N3O4/c1-11-10(16)12-9(15)3-4-13(2)5-7-17-8-6-14/h14H,3-8H2,1-2H3,(H2,11,12,15,16)
InChIKeyOUTHLDIBWXYHCF-UHFFFAOYSA-N
XLogP-1.23
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 5-1.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis[2-(2-hydroxyethoxy)ethyl]propanediamide
CID 20722252
3-[ethyl-[3-[2-[2-(2-hydroxyethoxy)ethoxy]ethylamino]-3-oxopropyl]amino]-N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]propanamide
CID 59400793
3-acetamido-N-[2-(2-hydroxyethoxy)ethyl]propanamide
CID 60747646
3-[2-(2-hydroxyethoxy)ethylamino]-N-methylpropanamide
CID 61863062
3-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylamino]-N,N-dimethylpropanamide
CID 89659202
3-Ethyl-1,1-bis[2-(2-hydroxyethoxy)ethyl]urea
CID 90753094
3-amino-N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]propanamide
CID 122626308
N-ethyl-3-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylamino]-N-methylpropanamide
CID 123979425
N-(3-ethoxy-2-hydroxypropyl)-N-[oxiran-2-ylmethyl(oxiran-2-ylmethylcarbamoyl)carbamoyl]acetamide
CID 139352309
3-amino-N-[1-ethoxy-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]propanamide
CID 141705906
N-[butyl(1,2-dihydroxyethylcarbamoyl)carbamoyl]-N-(1,2-dihydroxyethyl)acetamide
CID 144512345
N-[2-[2-[2-(ethylcarbamoylamino)ethoxy]ethoxy]ethyl]propanamide
CID 156523640

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-hydroxyethoxy)ethyl-methylamino]-N-(methylcarbamoyl)propanamide?
The IUPAC name of 3-[2-(2-hydroxyethoxy)ethyl-methylamino]-N-(methylcarbamoyl)propanamide (CID 114243567) is 3-[2-(2-hydroxyethoxy)ethyl-methylamino]-N-(methylcarbamoyl)propanamide.
What is the SMILES notation for 3-[2-(2-hydroxyethoxy)ethyl-methylamino]-N-(methylcarbamoyl)propanamide?
The canonical SMILES for 3-[2-(2-hydroxyethoxy)ethyl-methylamino]-N-(methylcarbamoyl)propanamide is CNC(=O)NC(=O)CCN(C)CCOCCO.
What is the InChIKey of 3-[2-(2-hydroxyethoxy)ethyl-methylamino]-N-(methylcarbamoyl)propanamide?
The InChIKey is OUTHLDIBWXYHCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O4/c1-11-10(16)12-9(15)3-4-13(2)5-7-17-8-6-14/h14H,3-8H2,1-2H3,(H2,11,12,15,16).
What are the key properties of 3-[2-(2-hydroxyethoxy)ethyl-methylamino]-N-(methylcarbamoyl)propanamide?
3-[2-(2-hydroxyethoxy)ethyl-methylamino]-N-(methylcarbamoyl)propanamide has a molecular weight of 247.29 g/mol, XLogP of -1.23, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-hydroxyethoxy)ethyl-methylamino]-N-(methylcarbamoyl)propanamide is sourced from PubChem (CID 114243567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).