3-amino-N-[2-[bis(2-hydroxyethyl)amino]-2-oxoethyl]propanamide

C9H19N3O4 — CID 163216246

IUPAC3-amino-N-[2-[bis(2-hydroxyethyl)amino]-2-oxoethyl]propanamide
SMILESNCCC(=O)NCC(=O)N(CCO)CCO
InChIInChI=1S/C9H19N3O4/c10-2-1-8(15)11-7-9(16)12(3-5-13)4-6-14/h13-14H,1-7,10H2,(H,11,15)
InChIKeyRMHJRHGOCOVUDM-UHFFFAOYSA-N
MW233.27 g/mol
LogP-2.74
Rot. Bonds8

About 3-amino-N-[2-[bis(2-hydroxyethyl)amino]-2-oxoethyl]propanamide

3-amino-N-[2-[bis(2-hydroxyethyl)amino]-2-oxoethyl]propanamide (PubChem CID 163216246) has the molecular formula C9H19N3O4 and a molecular weight of 233.27 g/mol. Its IUPAC name is 3-amino-N-[2-[bis(2-hydroxyethyl)amino]-2-oxoethyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[2-[bis(2-hydroxyethyl)amino]-2-oxoethyl]propanamide
PubChem CID163216246
Molecular FormulaC9H19N3O4
Molecular Weight233.27 g/mol
Exact Mass233.14
IUPAC Name3-amino-N-[2-[bis(2-hydroxyethyl)amino]-2-oxoethyl]propanamide
SMILESNCCC(=O)NCC(=O)N(CCO)CCO
InChIInChI=1S/C9H19N3O4/c10-2-1-8(15)11-7-9(16)12(3-5-13)4-6-14/h13-14H,1-7,10H2,(H,11,15)
InChIKeyRMHJRHGOCOVUDM-UHFFFAOYSA-N
XLogP-2.74
TPSA115.89 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 5-2.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[2-hydroxyethyl(propyl)amino]-2-oxoethyl]propanamide
CID 110907242
ethanol;2-[3-[2-hydroxyethyl(propanoyl)amino]propanoylamino]acetic acid;2-methylpropane
CID 163239020
tert-butyl N-[2-[bis(2-hydroxyethyl)amino]-2-oxoethyl]carbamate
CID 127108190
3-amino-N-hexyl-N-(2-hydroxyethyl)propanamide
CID 60962564
N-[2-(dimethylamino)-2-oxoethyl]-3-hydroxypropanamide
CID 20719167
N-(3-aminopropyl)-3-[[3-(3-aminopropylamino)-3-oxopropyl]-(2-hydroxyethyl)amino]propanamide
CID 172946431
N-[2-[2-hydroxyethyl(propyl)amino]-2-oxoethyl]benzamide
CID 60656778
2-fluoro-N-[2-[2-hydroxyethyl(propyl)amino]-2-oxoethyl]benzamide
CID 60656549
N-(2-aminoethyl)-N',N'-dipropylbutanediamide;hydrochloride
CID 119382280
N-[2-[ethyl(2-hydroxyethyl)amino]-2-oxoethyl]-2,2-dimethylpropanamide
CID 60742338
3-amino-N-[2-(2-hydroxyethoxy)ethyl]propanamide
CID 61274475
N,N-bis(2-hydroxyethyl)butanamide
CID 14455174

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-[bis(2-hydroxyethyl)amino]-2-oxoethyl]propanamide?
The IUPAC name of 3-amino-N-[2-[bis(2-hydroxyethyl)amino]-2-oxoethyl]propanamide (CID 163216246) is 3-amino-N-[2-[bis(2-hydroxyethyl)amino]-2-oxoethyl]propanamide.
What is the SMILES notation for 3-amino-N-[2-[bis(2-hydroxyethyl)amino]-2-oxoethyl]propanamide?
The canonical SMILES for 3-amino-N-[2-[bis(2-hydroxyethyl)amino]-2-oxoethyl]propanamide is NCCC(=O)NCC(=O)N(CCO)CCO.
What is the InChIKey of 3-amino-N-[2-[bis(2-hydroxyethyl)amino]-2-oxoethyl]propanamide?
The InChIKey is RMHJRHGOCOVUDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O4/c10-2-1-8(15)11-7-9(16)12(3-5-13)4-6-14/h13-14H,1-7,10H2,(H,11,15).
What are the key properties of 3-amino-N-[2-[bis(2-hydroxyethyl)amino]-2-oxoethyl]propanamide?
3-amino-N-[2-[bis(2-hydroxyethyl)amino]-2-oxoethyl]propanamide has a molecular weight of 233.27 g/mol, XLogP of -2.74, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-[bis(2-hydroxyethyl)amino]-2-oxoethyl]propanamide is sourced from PubChem (CID 163216246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).