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'}

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

2-[2-[2-[bis(2-oxobutyl)amino]ethyl-(2-oxoethyl)amino]ethyl-(2-oxobutyl)amino]-N-methylacetamide;ethane
CID 145053798
2-[(2-cyano-3,3,3-trifluoropropyl)-ethylamino]-N-methylacetamide
CID 103367792
2-ethyl-4-[ethyl-[2-(methylamino)-2-oxoethyl]amino]but-2-enoic acid
CID 77100771
2-[ethyl(2-methylpropyl)amino]acetohydrazide
CID 63574008
2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-methylacetamide
CID 79390515
methyl 3-[ethyl-[2-(methylamino)-2-oxoethyl]amino]butanoate
CID 61448932
2-[(1-hydrazinyl-3-methyl-1-oxobutan-2-yl)-propylamino]-N-methylacetamide
CID 55212881
N-methyl-2-[[2-(methylamino)-2-oxoethyl]-(2-oxopropyl)amino]acetamide
CID 163933463
2-[ethyl(4-oxohexyl)amino]-N-methylacetamide
CID 106801333
2-[ethyl(5-oxohexyl)amino]-N-methylacetamide
CID 62052639
3-amino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]butanamide
CID 60837009
(2R)-N-ethyl-N-[2-(methylamino)-2-oxoethyl]-2-methylsulfanylpropanamide
CID 94170765

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).