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

C11H21N3O5 — CID 175998269

IUPACN-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]-3-(2-ethoxyethoxy)propanamide
SMILESCCOCCOCCC(=O)NCC(=O)NCC(N)=O
InChIInChI=1S/C11H21N3O5/c1-2-18-5-6-19-4-3-10(16)14-8-11(17)13-7-9(12)15/h2-8H2,1H3,(H2,12,15)(H,13,17)(H,14,16)
InChIKeyXYLACPUBBAMOGH-UHFFFAOYSA-N
MW275.30 g/mol
LogP-1.85
Rot. Bonds11

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

N-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]-3-(2-ethoxyethoxy)propanamide (PubChem CID 175998269) has the molecular formula C11H21N3O5 and a molecular weight of 275.30 g/mol. Its IUPAC name is N-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]-3-(2-ethoxyethoxy)propanamide.

Molecular Properties

Compound NameN-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]-3-(2-ethoxyethoxy)propanamide
PubChem CID175998269
Molecular FormulaC11H21N3O5
Molecular Weight275.30 g/mol
Exact Mass275.15
IUPAC NameN-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]-3-(2-ethoxyethoxy)propanamide
SMILESCCOCCOCCC(=O)NCC(=O)NCC(N)=O
InChIInChI=1S/C11H21N3O5/c1-2-18-5-6-19-4-3-10(16)14-8-11(17)13-7-9(12)15/h2-8H2,1H3,(H2,12,15)(H,13,17)(H,14,16)
InChIKeyXYLACPUBBAMOGH-UHFFFAOYSA-N
XLogP-1.85
TPSA119.75 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 5-1.85
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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Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]-3-(2-ethoxyethoxy)propanamide?
The IUPAC name of N-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]-3-(2-ethoxyethoxy)propanamide (CID 175998269) is N-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]-3-(2-ethoxyethoxy)propanamide.
What is the SMILES notation for N-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]-3-(2-ethoxyethoxy)propanamide?
The canonical SMILES for N-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]-3-(2-ethoxyethoxy)propanamide is CCOCCOCCC(=O)NCC(=O)NCC(N)=O.
What is the InChIKey of N-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]-3-(2-ethoxyethoxy)propanamide?
The InChIKey is XYLACPUBBAMOGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O5/c1-2-18-5-6-19-4-3-10(16)14-8-11(17)13-7-9(12)15/h2-8H2,1H3,(H2,12,15)(H,13,17)(H,14,16).
What are the key properties of N-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]-3-(2-ethoxyethoxy)propanamide?
N-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]-3-(2-ethoxyethoxy)propanamide has a molecular weight of 275.30 g/mol, XLogP of -1.85, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]-3-(2-ethoxyethoxy)propanamide is sourced from PubChem (CID 175998269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).