N-[2-oxo-2-[[3-oxo-2-[[2-(propanoylamino)acetyl]amino]butyl]amino]ethyl]propanamide

C14H24N4O5 — CID 20603418

IUPACN-[2-oxo-2-[[3-oxo-2-[[2-(propanoylamino)acetyl]amino]butyl]amino]ethyl]propanamide
SMILESCCC(=O)NCC(=O)NCC(NC(=O)CNC(=O)CC)C(C)=O
InChIInChI=1S/C14H24N4O5/c1-4-11(20)16-7-13(22)15-6-10(9(3)19)18-14(23)8-17-12(21)5-2/h10H,4-8H2,1-3H3,(H,15,22)(H,16,20)(H,17,21)(H,18,23)
InChIKeyMKTWUKJYLAHPDP-UHFFFAOYSA-N
MW328.37 g/mol
LogP-1.77
Rot. Bonds10

About N-[2-oxo-2-[[3-oxo-2-[[2-(propanoylamino)acetyl]amino]butyl]amino]ethyl]propanamide

N-[2-oxo-2-[[3-oxo-2-[[2-(propanoylamino)acetyl]amino]butyl]amino]ethyl]propanamide (PubChem CID 20603418) has the molecular formula C14H24N4O5 and a molecular weight of 328.37 g/mol. Its IUPAC name is N-[2-oxo-2-[[3-oxo-2-[[2-(propanoylamino)acetyl]amino]butyl]amino]ethyl]propanamide.

Molecular Properties

Compound NameN-[2-oxo-2-[[3-oxo-2-[[2-(propanoylamino)acetyl]amino]butyl]amino]ethyl]propanamide
PubChem CID20603418
Molecular FormulaC14H24N4O5
Molecular Weight328.37 g/mol
Exact Mass328.17
IUPAC NameN-[2-oxo-2-[[3-oxo-2-[[2-(propanoylamino)acetyl]amino]butyl]amino]ethyl]propanamide
SMILESCCC(=O)NCC(=O)NCC(NC(=O)CNC(=O)CC)C(C)=O
InChIInChI=1S/C14H24N4O5/c1-4-11(20)16-7-13(22)15-6-10(9(3)19)18-14(23)8-17-12(21)5-2/h10H,4-8H2,1-3H3,(H,15,22)(H,16,20)(H,17,21)(H,18,23)
InChIKeyMKTWUKJYLAHPDP-UHFFFAOYSA-N
XLogP-1.77
TPSA133.47 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 5-1.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[[3-oxo-2-[[2-(propanoylamino)acetyl]amino]butyl]amino]ethyl]propanamide?
The IUPAC name of N-[2-oxo-2-[[3-oxo-2-[[2-(propanoylamino)acetyl]amino]butyl]amino]ethyl]propanamide (CID 20603418) is N-[2-oxo-2-[[3-oxo-2-[[2-(propanoylamino)acetyl]amino]butyl]amino]ethyl]propanamide.
What is the SMILES notation for N-[2-oxo-2-[[3-oxo-2-[[2-(propanoylamino)acetyl]amino]butyl]amino]ethyl]propanamide?
The canonical SMILES for N-[2-oxo-2-[[3-oxo-2-[[2-(propanoylamino)acetyl]amino]butyl]amino]ethyl]propanamide is CCC(=O)NCC(=O)NCC(NC(=O)CNC(=O)CC)C(C)=O.
What is the InChIKey of N-[2-oxo-2-[[3-oxo-2-[[2-(propanoylamino)acetyl]amino]butyl]amino]ethyl]propanamide?
The InChIKey is MKTWUKJYLAHPDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O5/c1-4-11(20)16-7-13(22)15-6-10(9(3)19)18-14(23)8-17-12(21)5-2/h10H,4-8H2,1-3H3,(H,15,22)(H,16,20)(H,17,21)(H,18,23).
What are the key properties of N-[2-oxo-2-[[3-oxo-2-[[2-(propanoylamino)acetyl]amino]butyl]amino]ethyl]propanamide?
N-[2-oxo-2-[[3-oxo-2-[[2-(propanoylamino)acetyl]amino]butyl]amino]ethyl]propanamide has a molecular weight of 328.37 g/mol, XLogP of -1.77, 10 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-[[3-oxo-2-[[2-(propanoylamino)acetyl]amino]butyl]amino]ethyl]propanamide is sourced from PubChem (CID 20603418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).