2-[formyl(2-hydroxyethyl)amino]-N-(2-hydroxyethyl)-N-(2-oxoethyl)acetamide

C9H16N2O5 — CID 142456631

IUPAC2-[formyl(2-hydroxyethyl)amino]-N-(2-hydroxyethyl)-N-(2-oxoethyl)acetamide
SMILESO=CCN(CCO)C(=O)CN(C=O)CCO
InChIInChI=1S/C9H16N2O5/c12-4-1-10(8-15)7-9(16)11(2-5-13)3-6-14/h5,8,12,14H,1-4,6-7H2
InChIKeyFZRDQVLKFVLJKJ-UHFFFAOYSA-N
MW232.24 g/mol
LogP-2.54
Rot. Bonds9

About 2-[formyl(2-hydroxyethyl)amino]-N-(2-hydroxyethyl)-N-(2-oxoethyl)acetamide

2-[formyl(2-hydroxyethyl)amino]-N-(2-hydroxyethyl)-N-(2-oxoethyl)acetamide (PubChem CID 142456631) has the molecular formula C9H16N2O5 and a molecular weight of 232.24 g/mol. Its IUPAC name is 2-[formyl(2-hydroxyethyl)amino]-N-(2-hydroxyethyl)-N-(2-oxoethyl)acetamide.

Molecular Properties

Compound Name2-[formyl(2-hydroxyethyl)amino]-N-(2-hydroxyethyl)-N-(2-oxoethyl)acetamide
PubChem CID142456631
Molecular FormulaC9H16N2O5
Molecular Weight232.24 g/mol
Exact Mass232.11
IUPAC Name2-[formyl(2-hydroxyethyl)amino]-N-(2-hydroxyethyl)-N-(2-oxoethyl)acetamide
SMILESO=CCN(CCO)C(=O)CN(C=O)CCO
InChIInChI=1S/C9H16N2O5/c12-4-1-10(8-15)7-9(16)11(2-5-13)3-6-14/h5,8,12,14H,1-4,6-7H2
InChIKeyFZRDQVLKFVLJKJ-UHFFFAOYSA-N
XLogP-2.54
TPSA98.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 5-2.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1,3-bis(2-hydroxyethyl)-1,3-bis(hydroxymethyl)urea
CID 157141155
N-(2-hydroxyethyl)-N-prop-2-enylpent-4-enamide
CID 115775480
CID 54428300
CID 54428300
CID 59090937
CID 59090937
bis(2-hydroxyethyl)carbamic acid;piperazine
CID 67592047
CID 142046589
CID 142046589
methyl N-(2-bromoprop-2-enyl)-N-(2-oxoethyl)carbamate
CID 19738529
CID 58123052
CID 58123052
2-ethoxy-N-(2-hydroxyethyl)-N-prop-2-enylacetamide
CID 115775668
2-[2-hydroxyethyl(propyl)amino]acetaldehyde
CID 62051333
2-[tert-butyl(2-hydroxyethyl)amino]acetaldehyde
CID 91396061
N,N-bis(2-hydroxyethyl)-3-methylsulfanylpropanamide
CID 61235441

Frequently Asked Questions

What is the IUPAC name of 2-[formyl(2-hydroxyethyl)amino]-N-(2-hydroxyethyl)-N-(2-oxoethyl)acetamide?
The IUPAC name of 2-[formyl(2-hydroxyethyl)amino]-N-(2-hydroxyethyl)-N-(2-oxoethyl)acetamide (CID 142456631) is 2-[formyl(2-hydroxyethyl)amino]-N-(2-hydroxyethyl)-N-(2-oxoethyl)acetamide.
What is the SMILES notation for 2-[formyl(2-hydroxyethyl)amino]-N-(2-hydroxyethyl)-N-(2-oxoethyl)acetamide?
The canonical SMILES for 2-[formyl(2-hydroxyethyl)amino]-N-(2-hydroxyethyl)-N-(2-oxoethyl)acetamide is O=CCN(CCO)C(=O)CN(C=O)CCO.
What is the InChIKey of 2-[formyl(2-hydroxyethyl)amino]-N-(2-hydroxyethyl)-N-(2-oxoethyl)acetamide?
The InChIKey is FZRDQVLKFVLJKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O5/c12-4-1-10(8-15)7-9(16)11(2-5-13)3-6-14/h5,8,12,14H,1-4,6-7H2.
What are the key properties of 2-[formyl(2-hydroxyethyl)amino]-N-(2-hydroxyethyl)-N-(2-oxoethyl)acetamide?
2-[formyl(2-hydroxyethyl)amino]-N-(2-hydroxyethyl)-N-(2-oxoethyl)acetamide has a molecular weight of 232.24 g/mol, XLogP of -2.54, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[formyl(2-hydroxyethyl)amino]-N-(2-hydroxyethyl)-N-(2-oxoethyl)acetamide is sourced from PubChem (CID 142456631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).