3-amino-N-[2-(ethylamino)-2-oxoethyl]-N-(2-oxoethyl)propanamide

C9H17N3O3 — CID 89192424

IUPAC3-amino-N-[2-(ethylamino)-2-oxoethyl]-N-(2-oxoethyl)propanamide
SMILESCCNC(=O)CN(CC=O)C(=O)CCN
InChIInChI=1S/C9H17N3O3/c1-2-11-8(14)7-12(5-6-13)9(15)3-4-10/h6H,2-5,7,10H2,1H3,(H,11,14)
InChIKeyPRDOQSXKXRUBQX-UHFFFAOYSA-N
MW215.25 g/mol
LogP-1.50
Rot. Bonds7

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

3-amino-N-[2-(ethylamino)-2-oxoethyl]-N-(2-oxoethyl)propanamide (PubChem CID 89192424) has the molecular formula C9H17N3O3 and a molecular weight of 215.25 g/mol. Its IUPAC name is 3-amino-N-[2-(ethylamino)-2-oxoethyl]-N-(2-oxoethyl)propanamide.

Molecular Properties

Compound Name3-amino-N-[2-(ethylamino)-2-oxoethyl]-N-(2-oxoethyl)propanamide
PubChem CID89192424
Molecular FormulaC9H17N3O3
Molecular Weight215.25 g/mol
Exact Mass215.13
IUPAC Name3-amino-N-[2-(ethylamino)-2-oxoethyl]-N-(2-oxoethyl)propanamide
SMILESCCNC(=O)CN(CC=O)C(=O)CCN
InChIInChI=1S/C9H17N3O3/c1-2-11-8(14)7-12(5-6-13)9(15)3-4-10/h6H,2-5,7,10H2,1H3,(H,11,14)
InChIKeyPRDOQSXKXRUBQX-UHFFFAOYSA-N
XLogP-1.50
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 5-1.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(ethylamino)-2-oxoethyl]-N-(2-oxoethyl)propanamide?
The IUPAC name of 3-amino-N-[2-(ethylamino)-2-oxoethyl]-N-(2-oxoethyl)propanamide (CID 89192424) is 3-amino-N-[2-(ethylamino)-2-oxoethyl]-N-(2-oxoethyl)propanamide.
What is the SMILES notation for 3-amino-N-[2-(ethylamino)-2-oxoethyl]-N-(2-oxoethyl)propanamide?
The canonical SMILES for 3-amino-N-[2-(ethylamino)-2-oxoethyl]-N-(2-oxoethyl)propanamide is CCNC(=O)CN(CC=O)C(=O)CCN.
What is the InChIKey of 3-amino-N-[2-(ethylamino)-2-oxoethyl]-N-(2-oxoethyl)propanamide?
The InChIKey is PRDOQSXKXRUBQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O3/c1-2-11-8(14)7-12(5-6-13)9(15)3-4-10/h6H,2-5,7,10H2,1H3,(H,11,14).
What are the key properties of 3-amino-N-[2-(ethylamino)-2-oxoethyl]-N-(2-oxoethyl)propanamide?
3-amino-N-[2-(ethylamino)-2-oxoethyl]-N-(2-oxoethyl)propanamide has a molecular weight of 215.25 g/mol, XLogP of -1.50, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(ethylamino)-2-oxoethyl]-N-(2-oxoethyl)propanamide is sourced from PubChem (CID 89192424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).