N-[1-[[2-[2-(hydroxymethoxy)ethylamino]-2-oxoethyl]amino]-1-oxopropan-2-yl]-2-(propanoylamino)propanamide

C14H26N4O6 — CID 20591621

IUPACN-[1-[[2-[2-(hydroxymethoxy)ethylamino]-2-oxoethyl]amino]-1-oxopropan-2-yl]-2-(propanoylamino)propanamide
SMILESCCC(=O)NC(C)C(=O)NC(C)C(=O)NCC(=O)NCCOCO
InChIInChI=1S/C14H26N4O6/c1-4-11(20)17-10(3)14(23)18-9(2)13(22)16-7-12(21)15-5-6-24-8-19/h9-10,19H,4-8H2,1-3H3,(H,15,21)(H,16,22)(H,17,20)(H,18,23)
InChIKeyLAZHRTDFIKHVKQ-UHFFFAOYSA-N
MW346.38 g/mol
LogP-2.40
Rot. Bonds11

About N-[1-[[2-[2-(hydroxymethoxy)ethylamino]-2-oxoethyl]amino]-1-oxopropan-2-yl]-2-(propanoylamino)propanamide

N-[1-[[2-[2-(hydroxymethoxy)ethylamino]-2-oxoethyl]amino]-1-oxopropan-2-yl]-2-(propanoylamino)propanamide (PubChem CID 20591621) has the molecular formula C14H26N4O6 and a molecular weight of 346.38 g/mol. Its IUPAC name is N-[1-[[2-[2-(hydroxymethoxy)ethylamino]-2-oxoethyl]amino]-1-oxopropan-2-yl]-2-(propanoylamino)propanamide.

Molecular Properties

Compound NameN-[1-[[2-[2-(hydroxymethoxy)ethylamino]-2-oxoethyl]amino]-1-oxopropan-2-yl]-2-(propanoylamino)propanamide
PubChem CID20591621
Molecular FormulaC14H26N4O6
Molecular Weight346.38 g/mol
Exact Mass346.19
IUPAC NameN-[1-[[2-[2-(hydroxymethoxy)ethylamino]-2-oxoethyl]amino]-1-oxopropan-2-yl]-2-(propanoylamino)propanamide
SMILESCCC(=O)NC(C)C(=O)NC(C)C(=O)NCC(=O)NCCOCO
InChIInChI=1S/C14H26N4O6/c1-4-11(20)17-10(3)14(23)18-9(2)13(22)16-7-12(21)15-5-6-24-8-19/h9-10,19H,4-8H2,1-3H3,(H,15,21)(H,16,22)(H,17,20)(H,18,23)
InChIKeyLAZHRTDFIKHVKQ-UHFFFAOYSA-N
XLogP-2.40
TPSA145.86 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 5-2.40
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-[[2-[2-(hydroxymethoxy)ethylamino]-2-oxoethyl]amino]-1-oxopropan-2-yl]-2-(propanoylamino)propanamide?
The IUPAC name of N-[1-[[2-[2-(hydroxymethoxy)ethylamino]-2-oxoethyl]amino]-1-oxopropan-2-yl]-2-(propanoylamino)propanamide (CID 20591621) is N-[1-[[2-[2-(hydroxymethoxy)ethylamino]-2-oxoethyl]amino]-1-oxopropan-2-yl]-2-(propanoylamino)propanamide.
What is the SMILES notation for N-[1-[[2-[2-(hydroxymethoxy)ethylamino]-2-oxoethyl]amino]-1-oxopropan-2-yl]-2-(propanoylamino)propanamide?
The canonical SMILES for N-[1-[[2-[2-(hydroxymethoxy)ethylamino]-2-oxoethyl]amino]-1-oxopropan-2-yl]-2-(propanoylamino)propanamide is CCC(=O)NC(C)C(=O)NC(C)C(=O)NCC(=O)NCCOCO.
What is the InChIKey of N-[1-[[2-[2-(hydroxymethoxy)ethylamino]-2-oxoethyl]amino]-1-oxopropan-2-yl]-2-(propanoylamino)propanamide?
The InChIKey is LAZHRTDFIKHVKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O6/c1-4-11(20)17-10(3)14(23)18-9(2)13(22)16-7-12(21)15-5-6-24-8-19/h9-10,19H,4-8H2,1-3H3,(H,15,21)(H,16,22)(H,17,20)(H,18,23).
What are the key properties of N-[1-[[2-[2-(hydroxymethoxy)ethylamino]-2-oxoethyl]amino]-1-oxopropan-2-yl]-2-(propanoylamino)propanamide?
N-[1-[[2-[2-(hydroxymethoxy)ethylamino]-2-oxoethyl]amino]-1-oxopropan-2-yl]-2-(propanoylamino)propanamide has a molecular weight of 346.38 g/mol, XLogP of -2.40, 11 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[2-[2-(hydroxymethoxy)ethylamino]-2-oxoethyl]amino]-1-oxopropan-2-yl]-2-(propanoylamino)propanamide is sourced from PubChem (CID 20591621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).