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

C13H24N4O5 — CID 166876148

IUPAC3-ethoxy-N-[2-[[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]propanamide
SMILESCCNC(=O)CNC(=O)CNC(=O)CNC(=O)CCOCC
InChIInChI=1S/C13H24N4O5/c1-3-14-11(19)7-16-13(21)9-17-12(20)8-15-10(18)5-6-22-4-2/h3-9H2,1-2H3,(H,14,19)(H,15,18)(H,16,21)(H,17,20)
InChIKeyRZTARZSPHZMANY-UHFFFAOYSA-N
MW316.36 g/mol
LogP-2.10
Rot. Bonds11

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

3-ethoxy-N-[2-[[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]propanamide (PubChem CID 166876148) has the molecular formula C13H24N4O5 and a molecular weight of 316.36 g/mol. Its IUPAC name is 3-ethoxy-N-[2-[[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]propanamide.

Molecular Properties

Compound Name3-ethoxy-N-[2-[[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]propanamide
PubChem CID166876148
Molecular FormulaC13H24N4O5
Molecular Weight316.36 g/mol
Exact Mass316.17
IUPAC Name3-ethoxy-N-[2-[[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]propanamide
SMILESCCNC(=O)CNC(=O)CNC(=O)CNC(=O)CCOCC
InChIInChI=1S/C13H24N4O5/c1-3-14-11(19)7-16-13(21)9-17-12(20)8-15-10(18)5-6-22-4-2/h3-9H2,1-2H3,(H,14,19)(H,15,18)(H,16,21)(H,17,20)
InChIKeyRZTARZSPHZMANY-UHFFFAOYSA-N
XLogP-2.10
TPSA125.63 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 5-2.10
H-Bond Donors ≤ 54
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 3-ethoxy-N-[2-[[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]propanamide?
The IUPAC name of 3-ethoxy-N-[2-[[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]propanamide (CID 166876148) is 3-ethoxy-N-[2-[[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]propanamide.
What is the SMILES notation for 3-ethoxy-N-[2-[[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]propanamide?
The canonical SMILES for 3-ethoxy-N-[2-[[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]propanamide is CCNC(=O)CNC(=O)CNC(=O)CNC(=O)CCOCC.
What is the InChIKey of 3-ethoxy-N-[2-[[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]propanamide?
The InChIKey is RZTARZSPHZMANY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O5/c1-3-14-11(19)7-16-13(21)9-17-12(20)8-15-10(18)5-6-22-4-2/h3-9H2,1-2H3,(H,14,19)(H,15,18)(H,16,21)(H,17,20).
What are the key properties of 3-ethoxy-N-[2-[[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]propanamide?
3-ethoxy-N-[2-[[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]propanamide has a molecular weight of 316.36 g/mol, XLogP of -2.10, 11 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[2-[[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]propanamide is sourced from PubChem (CID 166876148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).