3-[3-oxo-3-(propylamino)propoxy]propanamide

C9H18N2O3 — CID 163661719

IUPAC3-[3-oxo-3-(propylamino)propoxy]propanamide
SMILESCCCNC(=O)CCOCCC(N)=O
InChIInChI=1S/C9H18N2O3/c1-2-5-11-9(13)4-7-14-6-3-8(10)12/h2-7H2,1H3,(H2,10,12)(H,11,13)
InChIKeyIUZSIYLOEWYOOQ-UHFFFAOYSA-N
MW202.25 g/mol
LogP-0.21
Rot. Bonds8

About 3-[3-oxo-3-(propylamino)propoxy]propanamide

3-[3-oxo-3-(propylamino)propoxy]propanamide (PubChem CID 163661719) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is 3-[3-oxo-3-(propylamino)propoxy]propanamide.

Molecular Properties

Compound Name3-[3-oxo-3-(propylamino)propoxy]propanamide
PubChem CID163661719
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name3-[3-oxo-3-(propylamino)propoxy]propanamide
SMILESCCCNC(=O)CCOCCC(N)=O
InChIInChI=1S/C9H18N2O3/c1-2-5-11-9(13)4-7-14-6-3-8(10)12/h2-7H2,1H3,(H2,10,12)(H,11,13)
InChIKeyIUZSIYLOEWYOOQ-UHFFFAOYSA-N
XLogP-0.21
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[3-oxo-3-(propylamino)propoxy]propanamide?
The IUPAC name of 3-[3-oxo-3-(propylamino)propoxy]propanamide (CID 163661719) is 3-[3-oxo-3-(propylamino)propoxy]propanamide.
What is the SMILES notation for 3-[3-oxo-3-(propylamino)propoxy]propanamide?
The canonical SMILES for 3-[3-oxo-3-(propylamino)propoxy]propanamide is CCCNC(=O)CCOCCC(N)=O.
What is the InChIKey of 3-[3-oxo-3-(propylamino)propoxy]propanamide?
The InChIKey is IUZSIYLOEWYOOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-2-5-11-9(13)4-7-14-6-3-8(10)12/h2-7H2,1H3,(H2,10,12)(H,11,13).
What are the key properties of 3-[3-oxo-3-(propylamino)propoxy]propanamide?
3-[3-oxo-3-(propylamino)propoxy]propanamide has a molecular weight of 202.25 g/mol, XLogP of -0.21, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-oxo-3-(propylamino)propoxy]propanamide is sourced from PubChem (CID 163661719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).