2-[ethyl-[2-[[2-(methylamino)-2-oxoethyl]-(2-oxoethyl)amino]propyl]amino]-N-formylacetamide

C13H24N4O4 — CID 166660807

IUPAC2-[ethyl-[2-[[2-(methylamino)-2-oxoethyl]-(2-oxoethyl)amino]propyl]amino]-N-formylacetamide
SMILESCCN(CC(=O)NC=O)CC(C)N(CC=O)CC(=O)NC
InChIInChI=1S/C13H24N4O4/c1-4-16(8-13(21)15-10-19)7-11(2)17(5-6-18)9-12(20)14-3/h6,10-11H,4-5,7-9H2,1-3H3,(H,14,20)(H,15,19,21)
InChIKeyJWSPCYGKJJATJM-UHFFFAOYSA-N
MW300.36 g/mol
LogP-1.78
Rot. Bonds11

About 2-[ethyl-[2-[[2-(methylamino)-2-oxoethyl]-(2-oxoethyl)amino]propyl]amino]-N-formylacetamide

2-[ethyl-[2-[[2-(methylamino)-2-oxoethyl]-(2-oxoethyl)amino]propyl]amino]-N-formylacetamide (PubChem CID 166660807) has the molecular formula C13H24N4O4 and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-[ethyl-[2-[[2-(methylamino)-2-oxoethyl]-(2-oxoethyl)amino]propyl]amino]-N-formylacetamide.

Molecular Properties

Compound Name2-[ethyl-[2-[[2-(methylamino)-2-oxoethyl]-(2-oxoethyl)amino]propyl]amino]-N-formylacetamide
PubChem CID166660807
Molecular FormulaC13H24N4O4
Molecular Weight300.36 g/mol
Exact Mass300.18
IUPAC Name2-[ethyl-[2-[[2-(methylamino)-2-oxoethyl]-(2-oxoethyl)amino]propyl]amino]-N-formylacetamide
SMILESCCN(CC(=O)NC=O)CC(C)N(CC=O)CC(=O)NC
InChIInChI=1S/C13H24N4O4/c1-4-16(8-13(21)15-10-19)7-11(2)17(5-6-18)9-12(20)14-3/h6,10-11H,4-5,7-9H2,1-3H3,(H,14,20)(H,15,19,21)
InChIKeyJWSPCYGKJJATJM-UHFFFAOYSA-N
XLogP-1.78
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 5-1.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[2-[[2-(methylamino)-2-oxoethyl]-(2-oxoethyl)amino]propyl]amino]-N-formylacetamide?
The IUPAC name of 2-[ethyl-[2-[[2-(methylamino)-2-oxoethyl]-(2-oxoethyl)amino]propyl]amino]-N-formylacetamide (CID 166660807) is 2-[ethyl-[2-[[2-(methylamino)-2-oxoethyl]-(2-oxoethyl)amino]propyl]amino]-N-formylacetamide.
What is the SMILES notation for 2-[ethyl-[2-[[2-(methylamino)-2-oxoethyl]-(2-oxoethyl)amino]propyl]amino]-N-formylacetamide?
The canonical SMILES for 2-[ethyl-[2-[[2-(methylamino)-2-oxoethyl]-(2-oxoethyl)amino]propyl]amino]-N-formylacetamide is CCN(CC(=O)NC=O)CC(C)N(CC=O)CC(=O)NC.
What is the InChIKey of 2-[ethyl-[2-[[2-(methylamino)-2-oxoethyl]-(2-oxoethyl)amino]propyl]amino]-N-formylacetamide?
The InChIKey is JWSPCYGKJJATJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O4/c1-4-16(8-13(21)15-10-19)7-11(2)17(5-6-18)9-12(20)14-3/h6,10-11H,4-5,7-9H2,1-3H3,(H,14,20)(H,15,19,21).
What are the key properties of 2-[ethyl-[2-[[2-(methylamino)-2-oxoethyl]-(2-oxoethyl)amino]propyl]amino]-N-formylacetamide?
2-[ethyl-[2-[[2-(methylamino)-2-oxoethyl]-(2-oxoethyl)amino]propyl]amino]-N-formylacetamide has a molecular weight of 300.36 g/mol, XLogP of -1.78, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[2-[[2-(methylamino)-2-oxoethyl]-(2-oxoethyl)amino]propyl]amino]-N-formylacetamide is sourced from PubChem (CID 166660807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).