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

C8H17N3O4 — CID 175712874

IUPAC3-amino-N-[bis(2-hydroxyethyl)carbamoyl]propanamide
SMILESNCCC(=O)NC(=O)N(CCO)CCO
InChIInChI=1S/C8H17N3O4/c9-2-1-7(14)10-8(15)11(3-5-12)4-6-13/h12-13H,1-6,9H2,(H,10,14,15)
InChIKeyLTBCMYSJGVIFHX-UHFFFAOYSA-N
MW219.24 g/mol
LogP-2.14
Rot. Bonds6

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

3-amino-N-[bis(2-hydroxyethyl)carbamoyl]propanamide (PubChem CID 175712874) has the molecular formula C8H17N3O4 and a molecular weight of 219.24 g/mol. Its IUPAC name is 3-amino-N-[bis(2-hydroxyethyl)carbamoyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[bis(2-hydroxyethyl)carbamoyl]propanamide
PubChem CID175712874
Molecular FormulaC8H17N3O4
Molecular Weight219.24 g/mol
Exact Mass219.12
IUPAC Name3-amino-N-[bis(2-hydroxyethyl)carbamoyl]propanamide
SMILESNCCC(=O)NC(=O)N(CCO)CCO
InChIInChI=1S/C8H17N3O4/c9-2-1-7(14)10-8(15)11(3-5-12)4-6-13/h12-13H,1-6,9H2,(H,10,14,15)
InChIKeyLTBCMYSJGVIFHX-UHFFFAOYSA-N
XLogP-2.14
TPSA115.89 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 5-2.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 3-amino-N-[bis(2-hydroxyethyl)carbamoyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-(methylcarbamoyl)propanamide
CID 113965008
3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-N-(methylcarbamoyl)propanamide
CID 113965072
N-(2-hydroxyethyl)barbituric acid
CID 18981215
N-hydroxyethyl-beta-dipropylaminopropionamide
CID 54257674
3-[bis(2-hydroxyethyl)amino]-N-(2-hydroxyethyl)propanamide
CID 57132985
3-[2-hydroxyethyl(propyl)amino]-N-propylpropanamide
CID 58040583
3-[3-[Bis(2-hydroxyethyl)amino]propanoylamino]propyl-trimethylazanium
CID 59513249
1-(2-Hydroxyethyl)hexahydropyrimidine-2,4-dione
CID 67312347
N-(2-hydroxyethyl)-3-[[3-(2-hydroxyethylamino)-3-oxopropyl]amino]propanamide
CID 86062914
3-(diethylamino)-N-(2-hydroxyethyl)propanamide
CID 87694394
3-[ethyl-[3-(2-hydroxyethylamino)-3-oxopropyl]amino]-N-(2-hydroxyethyl)propanamide
CID 89096051
3-[[3-Aminopropyl(2-hydroxyethyl)carbamoyl]amino]propanoic acid
CID 90070597

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[bis(2-hydroxyethyl)carbamoyl]propanamide?
The IUPAC name of 3-amino-N-[bis(2-hydroxyethyl)carbamoyl]propanamide (CID 175712874) is 3-amino-N-[bis(2-hydroxyethyl)carbamoyl]propanamide.
What is the SMILES notation for 3-amino-N-[bis(2-hydroxyethyl)carbamoyl]propanamide?
The canonical SMILES for 3-amino-N-[bis(2-hydroxyethyl)carbamoyl]propanamide is NCCC(=O)NC(=O)N(CCO)CCO.
What is the InChIKey of 3-amino-N-[bis(2-hydroxyethyl)carbamoyl]propanamide?
The InChIKey is LTBCMYSJGVIFHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O4/c9-2-1-7(14)10-8(15)11(3-5-12)4-6-13/h12-13H,1-6,9H2,(H,10,14,15).
What are the key properties of 3-amino-N-[bis(2-hydroxyethyl)carbamoyl]propanamide?
3-amino-N-[bis(2-hydroxyethyl)carbamoyl]propanamide has a molecular weight of 219.24 g/mol, XLogP of -2.14, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[bis(2-hydroxyethyl)carbamoyl]propanamide is sourced from PubChem (CID 175712874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).