3-[(3-amino-3-oxopropoxy)methoxy]propanamide

C7H14N2O4 — CID 87272054

IUPAC3-[(3-amino-3-oxopropoxy)methoxy]propanamide
SMILESNC(=O)CCOCOCCC(N)=O
InChIInChI=1S/C7H14N2O4/c8-6(10)1-3-12-5-13-4-2-7(9)11/h1-5H2,(H2,8,10)(H2,9,11)
InChIKeyPSKHHAMJJHNJJD-UHFFFAOYSA-N
MW190.20 g/mol
LogP-1.27
Rot. Bonds8

About 3-[(3-amino-3-oxopropoxy)methoxy]propanamide

3-[(3-amino-3-oxopropoxy)methoxy]propanamide (PubChem CID 87272054) has the molecular formula C7H14N2O4 and a molecular weight of 190.20 g/mol. Its IUPAC name is 3-[(3-amino-3-oxopropoxy)methoxy]propanamide.

Molecular Properties

Compound Name3-[(3-amino-3-oxopropoxy)methoxy]propanamide
PubChem CID87272054
Molecular FormulaC7H14N2O4
Molecular Weight190.20 g/mol
Exact Mass190.10
IUPAC Name3-[(3-amino-3-oxopropoxy)methoxy]propanamide
SMILESNC(=O)CCOCOCCC(N)=O
InChIInChI=1S/C7H14N2O4/c8-6(10)1-3-12-5-13-4-2-7(9)11/h1-5H2,(H2,8,10)(H2,9,11)
InChIKeyPSKHHAMJJHNJJD-UHFFFAOYSA-N
XLogP-1.27
TPSA104.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 5-1.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Related Compounds

3-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethoxy]propanamide
CID 146640391
3-[3-(3-amino-3-oxopropoxy)-2-[(3-amino-3-oxopropoxy)methyl]propoxy]propanamide
CID 123809562
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
3-(3-bromopropoxy)propanamide
CID 87796003
3-[2-[(3-amino-3-oxopropoxy)methyl]-2-methyl-3-(3-oxobutoxy)propoxy]propanamide
CID 167044215
3-butoxypropanamide;ethane
CID 176554640
3-[(E)-but-2-enoxy]propanamide
CID 62276924
3-dodecoxypropanamide
CID 22235134
ethane;3-[4-(2-methoxyethoxy)butoxy]propanamide
CID 177319137
3-[3-[2-[[2-[2-[3-(3-amino-3-oxopropoxy)-2-hydroxypropoxy]-1,1-difluoroethoxy]-2,2-difluoroethoxy]methoxy]ethoxy]-2-hydroxypropoxy]propanamide
CID 160829035
(3-amino-3-oxopropyl) acetate
CID 19981550

Frequently Asked Questions

What is the IUPAC name of 3-[(3-amino-3-oxopropoxy)methoxy]propanamide?
The IUPAC name of 3-[(3-amino-3-oxopropoxy)methoxy]propanamide (CID 87272054) is 3-[(3-amino-3-oxopropoxy)methoxy]propanamide.
What is the SMILES notation for 3-[(3-amino-3-oxopropoxy)methoxy]propanamide?
The canonical SMILES for 3-[(3-amino-3-oxopropoxy)methoxy]propanamide is NC(=O)CCOCOCCC(N)=O.
What is the InChIKey of 3-[(3-amino-3-oxopropoxy)methoxy]propanamide?
The InChIKey is PSKHHAMJJHNJJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O4/c8-6(10)1-3-12-5-13-4-2-7(9)11/h1-5H2,(H2,8,10)(H2,9,11).
What are the key properties of 3-[(3-amino-3-oxopropoxy)methoxy]propanamide?
3-[(3-amino-3-oxopropoxy)methoxy]propanamide has a molecular weight of 190.20 g/mol, XLogP of -1.27, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-amino-3-oxopropoxy)methoxy]propanamide is sourced from PubChem (CID 87272054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).