3-[3-(3-amino-3-oxopropoxy)-2-[(3-amino-3-oxopropoxy)methyl]propoxy]propanamide

C13H25N3O6 — CID 123809562

IUPAC3-[3-(3-amino-3-oxopropoxy)-2-[(3-amino-3-oxopropoxy)methyl]propoxy]propanamide
SMILESNC(=O)CCOCC(COCCC(N)=O)COCCC(N)=O
InChIInChI=1S/C13H25N3O6/c14-11(17)1-4-20-7-10(8-21-5-2-12(15)18)9-22-6-3-13(16)19/h10H,1-9H2,(H2,14,17)(H2,15,18)(H2,16,19)
InChIKeyQICZJNNLMUOLHF-UHFFFAOYSA-N
MW319.36 g/mol
LogP-1.72
Rot. Bonds15

About 3-[3-(3-amino-3-oxopropoxy)-2-[(3-amino-3-oxopropoxy)methyl]propoxy]propanamide

3-[3-(3-amino-3-oxopropoxy)-2-[(3-amino-3-oxopropoxy)methyl]propoxy]propanamide (PubChem CID 123809562) has the molecular formula C13H25N3O6 and a molecular weight of 319.36 g/mol. Its IUPAC name is 3-[3-(3-amino-3-oxopropoxy)-2-[(3-amino-3-oxopropoxy)methyl]propoxy]propanamide.

Molecular Properties

Compound Name3-[3-(3-amino-3-oxopropoxy)-2-[(3-amino-3-oxopropoxy)methyl]propoxy]propanamide
PubChem CID123809562
Molecular FormulaC13H25N3O6
Molecular Weight319.36 g/mol
Exact Mass319.17
IUPAC Name3-[3-(3-amino-3-oxopropoxy)-2-[(3-amino-3-oxopropoxy)methyl]propoxy]propanamide
SMILESNC(=O)CCOCC(COCCC(N)=O)COCCC(N)=O
InChIInChI=1S/C13H25N3O6/c14-11(17)1-4-20-7-10(8-21-5-2-12(15)18)9-22-6-3-13(16)19/h10H,1-9H2,(H2,14,17)(H2,15,18)(H2,16,19)
InChIKeyQICZJNNLMUOLHF-UHFFFAOYSA-N
XLogP-1.72
TPSA156.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 5-1.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(2-hydroxy-3-methoxypropoxy)propanamide
CID 172515689
3-[(3-amino-3-oxopropoxy)methoxy]propanamide
CID 87272054
1,3-dimethanidyloxypropan-2-ol;bis(3-(2-hydroxy-3-methanidyloxypropoxy)propanamide);hexakis(rutherfordium)
CID 172515714
bis(1,3-dimethanidyloxypropan-2-ol);bis(3-[2-hydroxy-3-(2-hydroxy-3-methanidyloxypropoxy)propoxy]propanamide);tris(rutherfordium)
CID 172515697
3-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethoxy]propanamide
CID 146640391
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanamide
CID 89154469
3-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]propanamide
CID 138616319
6-(2-butyloctoxy)hexanamide
CID 175423769
4-[(2S)-2-amino-3,3-dihydroxypropoxy]butanamide
CID 121421909
tert-butyl 3-[3-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]-2-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]methyl]propoxy]propanoate
CID 89312273
3-(3-bromopropoxy)propanamide
CID 87796003
3-(3-methylheptoxy)propanamide
CID 166649066

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-amino-3-oxopropoxy)-2-[(3-amino-3-oxopropoxy)methyl]propoxy]propanamide?
The IUPAC name of 3-[3-(3-amino-3-oxopropoxy)-2-[(3-amino-3-oxopropoxy)methyl]propoxy]propanamide (CID 123809562) is 3-[3-(3-amino-3-oxopropoxy)-2-[(3-amino-3-oxopropoxy)methyl]propoxy]propanamide.
What is the SMILES notation for 3-[3-(3-amino-3-oxopropoxy)-2-[(3-amino-3-oxopropoxy)methyl]propoxy]propanamide?
The canonical SMILES for 3-[3-(3-amino-3-oxopropoxy)-2-[(3-amino-3-oxopropoxy)methyl]propoxy]propanamide is NC(=O)CCOCC(COCCC(N)=O)COCCC(N)=O.
What is the InChIKey of 3-[3-(3-amino-3-oxopropoxy)-2-[(3-amino-3-oxopropoxy)methyl]propoxy]propanamide?
The InChIKey is QICZJNNLMUOLHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O6/c14-11(17)1-4-20-7-10(8-21-5-2-12(15)18)9-22-6-3-13(16)19/h10H,1-9H2,(H2,14,17)(H2,15,18)(H2,16,19).
What are the key properties of 3-[3-(3-amino-3-oxopropoxy)-2-[(3-amino-3-oxopropoxy)methyl]propoxy]propanamide?
3-[3-(3-amino-3-oxopropoxy)-2-[(3-amino-3-oxopropoxy)methyl]propoxy]propanamide has a molecular weight of 319.36 g/mol, XLogP of -1.72, 15 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-amino-3-oxopropoxy)-2-[(3-amino-3-oxopropoxy)methyl]propoxy]propanamide is sourced from PubChem (CID 123809562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).