4-methoxy-N-pent-3-ynylbutanamide

C10H17NO2 — CID 115977312

IUPAC4-methoxy-N-pent-3-ynylbutanamide
SMILESCC#CCCNC(=O)CCCOC
InChIInChI=1S/C10H17NO2/c1-3-4-5-8-11-10(12)7-6-9-13-2/h5-9H2,1-2H3,(H,11,12)
InChIKeyFJYFRFDMDJUGOO-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.94
Rot. Bonds6

About 4-methoxy-N-pent-3-ynylbutanamide

4-methoxy-N-pent-3-ynylbutanamide (PubChem CID 115977312) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 4-methoxy-N-pent-3-ynylbutanamide.

Molecular Properties

Compound Name4-methoxy-N-pent-3-ynylbutanamide
PubChem CID115977312
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name4-methoxy-N-pent-3-ynylbutanamide
SMILESCC#CCCNC(=O)CCCOC
InChIInChI=1S/C10H17NO2/c1-3-4-5-8-11-10(12)7-6-9-13-2/h5-9H2,1-2H3,(H,11,12)
InChIKeyFJYFRFDMDJUGOO-UHFFFAOYSA-N
XLogP0.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-ethoxy-N-pent-3-ynylpropanamide
CID 115977143
2-chloro-N-pent-3-ynylacetamide
CID 116643290
N-[2-(dodec-10-ynoylamino)ethyl]dodec-10-ynamide
CID 10993436
5-methoxy-N-(2-methoxyethyl)pentanamide
CID 58281484
N,N'-bis(2-methoxyethyl)hexanediamide
CID 2933923
N-(cyanomethyl)-4-methoxybutanamide
CID 78989538
ethyl 4-oxo-4-(pent-3-ynylamino)butanoate
CID 104581218
N-(3-methoxypropyl)-4-sulfanylbutanamide
CID 58311886
3-methoxy-3-methyl-N-pent-3-ynylbutanamide
CID 103022333
methyl 2-(4-methoxybutanoylamino)acetate
CID 112729446
5-(5-methoxypentanoylamino)pentanoic acid
CID 119234359
methyl 5-(4-methoxybutylamino)-5-oxopentanoate
CID 87688310

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-pent-3-ynylbutanamide?
The IUPAC name of 4-methoxy-N-pent-3-ynylbutanamide (CID 115977312) is 4-methoxy-N-pent-3-ynylbutanamide.
What is the SMILES notation for 4-methoxy-N-pent-3-ynylbutanamide?
The canonical SMILES for 4-methoxy-N-pent-3-ynylbutanamide is CC#CCCNC(=O)CCCOC.
What is the InChIKey of 4-methoxy-N-pent-3-ynylbutanamide?
The InChIKey is FJYFRFDMDJUGOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-3-4-5-8-11-10(12)7-6-9-13-2/h5-9H2,1-2H3,(H,11,12).
What are the key properties of 4-methoxy-N-pent-3-ynylbutanamide?
4-methoxy-N-pent-3-ynylbutanamide has a molecular weight of 183.25 g/mol, XLogP of 0.94, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-pent-3-ynylbutanamide is sourced from PubChem (CID 115977312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).