3-(3-acetamidopropoxy)propanamide;4-(3-aminopropoxy)butan-2-one

C15H31N3O5 — CID 158546704

IUPAC3-(3-acetamidopropoxy)propanamide;4-(3-aminopropoxy)butan-2-one
SMILESCC(=O)CCOCCCN.CC(=O)NCCCOCCC(N)=O
InChIInChI=1S/C8H16N2O3.C7H15NO2/c1-7(11)10-4-2-5-13-6-3-8(9)12;1-7(9)3-6-10-5-2-4-8/h2-6H2,1H3,(H2,9,12)(H,10,11);2-6,8H2,1H3
InChIKeyHPEXNUNCUOURIN-UHFFFAOYSA-N
MW333.43 g/mol
LogP-0.26
Rot. Bonds13

About 3-(3-acetamidopropoxy)propanamide;4-(3-aminopropoxy)butan-2-one

3-(3-acetamidopropoxy)propanamide;4-(3-aminopropoxy)butan-2-one (PubChem CID 158546704) has the molecular formula C15H31N3O5 and a molecular weight of 333.43 g/mol. Its IUPAC name is 3-(3-acetamidopropoxy)propanamide;4-(3-aminopropoxy)butan-2-one.

Molecular Properties

Compound Name3-(3-acetamidopropoxy)propanamide;4-(3-aminopropoxy)butan-2-one
PubChem CID158546704
Molecular FormulaC15H31N3O5
Molecular Weight333.43 g/mol
Exact Mass333.23
IUPAC Name3-(3-acetamidopropoxy)propanamide;4-(3-aminopropoxy)butan-2-one
SMILESCC(=O)CCOCCCN.CC(=O)NCCCOCCC(N)=O
InChIInChI=1S/C8H16N2O3.C7H15NO2/c1-7(11)10-4-2-5-13-6-3-8(9)12;1-7(9)3-6-10-5-2-4-8/h2-6H2,1H3,(H2,9,12)(H,10,11);2-6,8H2,1H3
InChIKeyHPEXNUNCUOURIN-UHFFFAOYSA-N
XLogP-0.26
TPSA133.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 5-0.26
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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Frequently Asked Questions

What is the IUPAC name of 3-(3-acetamidopropoxy)propanamide;4-(3-aminopropoxy)butan-2-one?
The IUPAC name of 3-(3-acetamidopropoxy)propanamide;4-(3-aminopropoxy)butan-2-one (CID 158546704) is 3-(3-acetamidopropoxy)propanamide;4-(3-aminopropoxy)butan-2-one.
What is the SMILES notation for 3-(3-acetamidopropoxy)propanamide;4-(3-aminopropoxy)butan-2-one?
The canonical SMILES for 3-(3-acetamidopropoxy)propanamide;4-(3-aminopropoxy)butan-2-one is CC(=O)CCOCCCN.CC(=O)NCCCOCCC(N)=O.
What is the InChIKey of 3-(3-acetamidopropoxy)propanamide;4-(3-aminopropoxy)butan-2-one?
The InChIKey is HPEXNUNCUOURIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3.C7H15NO2/c1-7(11)10-4-2-5-13-6-3-8(9)12;1-7(9)3-6-10-5-2-4-8/h2-6H2,1H3,(H2,9,12)(H,10,11);2-6,8H2,1H3.
What are the key properties of 3-(3-acetamidopropoxy)propanamide;4-(3-aminopropoxy)butan-2-one?
3-(3-acetamidopropoxy)propanamide;4-(3-aminopropoxy)butan-2-one has a molecular weight of 333.43 g/mol, XLogP of -0.26, 13 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-acetamidopropoxy)propanamide;4-(3-aminopropoxy)butan-2-one is sourced from PubChem (CID 158546704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).